4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide

C15H27N3O2 — CID 79526623

IUPAC4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H27N3O2/c16-10-11-3-5-12(6-4-11)15(20)17-9-1-2-14(19)18-13-7-8-13/h11-13H,1-10,16H2,(H,17,20)(H,18,19)
InChIKeyOFPXMSNNNIKFET-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.93
Rot. Bonds7

About 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide (PubChem CID 79526623) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
PubChem CID79526623
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H27N3O2/c16-10-11-3-5-12(6-4-11)15(20)17-9-1-2-14(19)18-13-7-8-13/h11-13H,1-10,16H2,(H,17,20)(H,18,19)
InChIKeyOFPXMSNNNIKFET-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.93
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-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide (CID 79526623) is 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCCC(=O)NC2CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide?
The InChIKey is OFPXMSNNNIKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-10-11-3-5-12(6-4-11)15(20)17-9-1-2-14(19)18-13-7-8-13/h11-13H,1-10,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79526623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).