1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea

C17H36N6O2 — CID 140900496

IUPAC1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
SMILESCOC1CCCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)C1
InChIInChI=1S/C17H36N6O2/c1-12-10-15(18-8-9-23(2)3)21-16(19-12)22-17(24)20-13-6-5-7-14(11-13)25-4/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24)
InChIKeyWCNCWYJJTJBPAJ-UHFFFAOYSA-N
MW356.52 g/mol
LogP-0.02
Rot. Bonds7

About 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea

1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea (PubChem CID 140900496) has the molecular formula C17H36N6O2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
PubChem CID140900496
Molecular FormulaC17H36N6O2
Molecular Weight356.52 g/mol
Exact Mass356.29
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
SMILESCOC1CCCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)C1
InChIInChI=1S/C17H36N6O2/c1-12-10-15(18-8-9-23(2)3)21-16(19-12)22-17(24)20-13-6-5-7-14(11-13)25-4/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24)
InChIKeyWCNCWYJJTJBPAJ-UHFFFAOYSA-N
XLogP-0.02
TPSA89.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-Aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900434
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900462
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900494
1-[4-(4-Aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900502
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900562
1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
CID 140900437
1-[4-(Butylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
CID 140900438
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
CID 140900439
1-[4-(4-Aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
CID 140900451
1-(4-Methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
CID 140900493
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
CID 140900533
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
CID 140900536

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea (CID 140900496) is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea is COC1CCCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)C1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The InChIKey is WCNCWYJJTJBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O2/c1-12-10-15(18-8-9-23(2)3)21-16(19-12)22-17(24)20-13-6-5-7-14(11-13)25-4/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea has a molecular weight of 356.52 g/mol, XLogP of -0.02, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea is sourced from PubChem (CID 140900496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).