1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C15H31N3O2 — CID 111630303

IUPAC1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESCCN(CC)CCCNC(=O)NC1CCCCC1CO
InChIInChI=1S/C15H31N3O2/c1-3-18(4-2)11-7-10-16-15(20)17-14-9-6-5-8-13(14)12-19/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeySJLXRBRRRQHVIG-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds8

About 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630303) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630303
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESCCN(CC)CCCNC(=O)NC1CCCCC1CO
InChIInChI=1S/C15H31N3O2/c1-3-18(4-2)11-7-10-16-15(20)17-14-9-6-5-8-13(14)12-19/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeySJLXRBRRRQHVIG-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630411
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(3-methylpiperidin-1-yl)propyl]urea
CID 111630554
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630303) is 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is CCN(CC)CCCNC(=O)NC1CCCCC1CO.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is SJLXRBRRRQHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-18(4-2)11-7-10-16-15(20)17-14-9-6-5-8-13(14)12-19/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).