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

C15H32N6O2 — CID 140900595

IUPAC1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
SMILESCOC1CCCC(NC(=O)NC2NC(C)CC(NCCN)N2)C1
InChIInChI=1S/C15H32N6O2/c1-10-8-13(17-7-6-16)20-14(18-10)21-15(22)19-11-4-3-5-12(9-11)23-2/h10-14,17-18,20H,3-9,16H2,1-2H3,(H2,19,21,22)
InChIKeyNCVOTZOJAXREOO-UHFFFAOYSA-N
MW328.46 g/mol
LogP-0.63
Rot. Bonds6

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

1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea (PubChem CID 140900595) has the molecular formula C15H32N6O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
PubChem CID140900595
Molecular FormulaC15H32N6O2
Molecular Weight328.46 g/mol
Exact Mass328.26
IUPAC Name1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea
SMILESCOC1CCCC(NC(=O)NC2NC(C)CC(NCCN)N2)C1
InChIInChI=1S/C15H32N6O2/c1-10-8-13(17-7-6-16)20-14(18-10)21-15(22)19-11-4-3-5-12(9-11)23-2/h10-14,17-18,20H,3-9,16H2,1-2H3,(H2,19,21,22)
InChIKeyNCVOTZOJAXREOO-UHFFFAOYSA-N
XLogP-0.63
TPSA112.47 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 5-0.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The IUPAC name of 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea (CID 140900595) is 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The canonical SMILES for 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea is COC1CCCC(NC(=O)NC2NC(C)CC(NCCN)N2)C1.
What is the InChIKey of 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
The InChIKey is NCVOTZOJAXREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N6O2/c1-10-8-13(17-7-6-16)20-14(18-10)21-15(22)19-11-4-3-5-12(9-11)23-2/h10-14,17-18,20H,3-9,16H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea?
1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea has a molecular weight of 328.46 g/mol, XLogP of -0.63, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methoxycyclohexyl)urea is sourced from PubChem (CID 140900595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).