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

C18H38N6O — CID 140900436

IUPAC1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea
SMILESCC1CC(NCCN(C)C)NC(NC(=O)NC2CCC(C)C(C)C2)N1
InChIInChI=1S/C18H38N6O/c1-12-6-7-15(10-13(12)2)21-18(25)23-17-20-14(3)11-16(22-17)19-8-9-24(4)5/h12-17,19-20,22H,6-11H2,1-5H3,(H2,21,23,25)
InChIKeyOJWPGTIQLIZCHM-UHFFFAOYSA-N
MW354.54 g/mol
LogP0.84
Rot. Bonds6

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

1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea (PubChem CID 140900436) has the molecular formula C18H38N6O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea
PubChem CID140900436
Molecular FormulaC18H38N6O
Molecular Weight354.54 g/mol
Exact Mass354.31
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea
SMILESCC1CC(NCCN(C)C)NC(NC(=O)NC2CCC(C)C(C)C2)N1
InChIInChI=1S/C18H38N6O/c1-12-6-7-15(10-13(12)2)21-18(25)23-17-20-14(3)11-16(22-17)19-8-9-24(4)5/h12-17,19-20,22H,6-11H2,1-5H3,(H2,21,23,25)
InChIKeyOJWPGTIQLIZCHM-UHFFFAOYSA-N
XLogP0.84
TPSA80.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 50.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea (CID 140900436) is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea is CC1CC(NCCN(C)C)NC(NC(=O)NC2CCC(C)C(C)C2)N1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea?
The InChIKey is OJWPGTIQLIZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N6O/c1-12-6-7-15(10-13(12)2)21-18(25)23-17-20-14(3)11-16(22-17)19-8-9-24(4)5/h12-17,19-20,22H,6-11H2,1-5H3,(H2,21,23,25).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea?
1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(3,4-dimethylcyclohexyl)urea has a molecular weight of 354.54 g/mol, XLogP of 0.84, 6 rotatable bonds, 5 hydrogen bond donors, and 5 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-(3,4-dimethylcyclohexyl)urea is sourced from PubChem (CID 140900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).