1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea

C18H34N4O2 — CID 119632716

IUPAC1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea
SMILESNCC1CCCN1C(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H34N4O2/c19-14-16-10-7-13-22(16)17(23)11-5-2-6-12-20-18(24)21-15-8-3-1-4-9-15/h15-16H,1-14,19H2,(H2,20,21,24)
InChIKeyFYOMHVYHOFNJLM-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.13
Rot. Bonds8

About 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea

1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea (PubChem CID 119632716) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea
PubChem CID119632716
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea
SMILESNCC1CCCN1C(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H34N4O2/c19-14-16-10-7-13-22(16)17(23)11-5-2-6-12-20-18(24)21-15-8-3-1-4-9-15/h15-16H,1-14,19H2,(H2,20,21,24)
InChIKeyFYOMHVYHOFNJLM-UHFFFAOYSA-N
XLogP2.13
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.13
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

(2S)-1-[6-(cyclohexylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid
CID 119365421
1-[6-[2-(1-aminoethyl)piperidin-1-yl]-6-oxohexyl]-3-cyclohexylurea;hydrochloride
CID 119436068
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-3-cyclohexylurea
CID 60588118
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119632550
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea;hydrochloride
CID 120804646
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119378516
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentyl]-3-cyclohexylthiourea
CID 87153919
1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea?
The IUPAC name of 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea (CID 119632716) is 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea is NCC1CCCN1C(=O)CCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea?
The InChIKey is FYOMHVYHOFNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c19-14-16-10-7-13-22(16)17(23)11-5-2-6-12-20-18(24)21-15-8-3-1-4-9-15/h15-16H,1-14,19H2,(H2,20,21,24).
What are the key properties of 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea?
1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea has a molecular weight of 338.50 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea is sourced from PubChem (CID 119632716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).