N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide

C17H34N4O2 — CID 119569667

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCC(CC)(CN)NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C17H34N4O2/c1-3-17(4-2,13-18)21-15(22)11-8-12-19-16(23)20-14-9-6-5-7-10-14/h14H,3-13,18H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyYJQWEXMHRZXORV-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.03
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide

N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 119569667) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID119569667
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCC(CC)(CN)NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C17H34N4O2/c1-3-17(4-2,13-18)21-15(22)11-8-12-19-16(23)20-14-9-6-5-7-10-14/h14H,3-13,18H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyYJQWEXMHRZXORV-UHFFFAOYSA-N
XLogP2.03
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
CID 120505486
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
1-cyclopentyl-3-propylurea
CID 14343339
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide (CID 119569667) is N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide is CCC(CC)(CN)NC(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is YJQWEXMHRZXORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-3-17(4-2,13-18)21-15(22)11-8-12-19-16(23)20-14-9-6-5-7-10-14/h14H,3-13,18H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 326.49 g/mol, XLogP of 2.03, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 119569667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).