1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea

C19H39N7O — CID 142295412

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCN(C)C)NC(NC(=O)NC2CCC3CCCCC3N2)N1
InChIInChI=1S/C19H39N7O/c1-13-12-17(20-10-11-26(2)3)23-18(21-13)25-19(27)24-16-9-8-14-6-4-5-7-15(14)22-16/h13-18,20-23H,4-12H2,1-3H3,(H2,24,25,27)
InChIKeyLRSIYCWHEGFCSY-UHFFFAOYSA-N
MW381.57 g/mol
LogP0.29
Rot. Bonds6

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea (PubChem CID 142295412) has the molecular formula C19H39N7O and a molecular weight of 381.57 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
PubChem CID142295412
Molecular FormulaC19H39N7O
Molecular Weight381.57 g/mol
Exact Mass381.32
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCN(C)C)NC(NC(=O)NC2CCC3CCCCC3N2)N1
InChIInChI=1S/C19H39N7O/c1-13-12-17(20-10-11-26(2)3)23-18(21-13)25-19(27)24-16-9-8-14-6-4-5-7-15(14)22-16/h13-18,20-23H,4-12H2,1-3H3,(H2,24,25,27)
InChIKeyLRSIYCWHEGFCSY-UHFFFAOYSA-N
XLogP0.29
TPSA92.49 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 50.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 147515462
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900629
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
CID 153299899
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
CID 140900640
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[4-(3-aminopropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 153299869
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900445
1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
CID 140900468
1-[4-[3-(dimethylamino)propylamino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 145147122
N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide
CID 142295463
1-(4-methoxycyclohexyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea
CID 140900578
2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]-N,N-dimethylacetamide
CID 147014237
1-[4-(4-aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3,4-diethylcyclohexyl)urea
CID 142295452

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea (CID 142295412) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea is CC1CC(NCCN(C)C)NC(NC(=O)NC2CCC3CCCCC3N2)N1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea?
The InChIKey is LRSIYCWHEGFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N7O/c1-13-12-17(20-10-11-26(2)3)23-18(21-13)25-19(27)24-16-9-8-14-6-4-5-7-15(14)22-16/h13-18,20-23H,4-12H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea has a molecular weight of 381.57 g/mol, XLogP of 0.29, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 142295412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).