N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride

C14H28ClN3O2 — CID 119570151

IUPACN-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCNC(=O)C1CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-14(4-2,10-15)17-12(18)6-5-9-16-13(19)11-7-8-11;/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyLDFYFBSXKFHONU-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.35
Rot. Bonds9

About N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride

N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119570151) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119570151
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCNC(=O)C1CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-14(4-2,10-15)17-12(18)6-5-9-16-13(19)11-7-8-11;/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyLDFYFBSXKFHONU-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.35
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

N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
CID 119568658
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 119569676
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride (CID 119570151) is N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride is CCC(CC)(CN)NC(=O)CCCNC(=O)C1CC1.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is LDFYFBSXKFHONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-14(4-2,10-15)17-12(18)6-5-9-16-13(19)11-7-8-11;/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119570151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).