1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea

C14H29N5O2 — CID 140900529

IUPAC1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCO)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C14H29N5O2/c1-10-9-12(15-7-8-20)18-13(16-10)19-14(21)17-11-5-3-2-4-6-11/h10-13,15-16,18,20H,2-9H2,1H3,(H2,17,19,21)
InChIKeyGFRBNDRFDKQQPV-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.22
Rot. Bonds5

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

1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea (PubChem CID 140900529) has the molecular formula C14H29N5O2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
PubChem CID140900529
Molecular FormulaC14H29N5O2
Molecular Weight299.42 g/mol
Exact Mass299.23
IUPAC Name1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCO)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C14H29N5O2/c1-10-9-12(15-7-8-20)18-13(16-10)19-14(21)17-11-5-3-2-4-6-11/h10-13,15-16,18,20H,2-9H2,1H3,(H2,17,19,21)
InChIKeyGFRBNDRFDKQQPV-UHFFFAOYSA-N
XLogP-0.22
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
1-cyclohexyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 51374342
N-[3-(diethylamino)propyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 172436856
1-Cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900409
1-(3-Chloro-4-fluorocyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900571
1-(4-Fluoro-3-methylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 145147106
1-Cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
CID 12696599
N-Cyclohexyl-N'-(1-(hydroxymethyl)propyl)urea
CID 4059234
1-(1-Ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one
CID 18340091
1-(2-Hydroxyethyl)-3-[4-(2-hydroxyethylcarbamoylamino)cyclohexyl]urea
CID 20437196
N-(2-hydroxypropyl)-2-methylpiperidine-1-carboxamide
CID 21406201
N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide
CID 54416795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea (CID 140900529) is 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea is CC1CC(NCCO)NC(NC(=O)NC2CCCCC2)N1.
What is the InChIKey of 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The InChIKey is GFRBNDRFDKQQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2/c1-10-9-12(15-7-8-20)18-13(16-10)19-14(21)17-11-5-3-2-4-6-11/h10-13,15-16,18,20H,2-9H2,1H3,(H2,17,19,21).
What are the key properties of 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea has a molecular weight of 299.42 g/mol, XLogP of -0.22, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 140900529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).