4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide

C14H25N3O2 — CID 104963779

IUPAC4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O2/c15-9-10-1-3-11(4-2-10)13(18)16-7-8-17-14(19)12-5-6-12/h10-12H,1-9,15H2,(H,16,18)(H,17,19)
InChIKeyRUSOUQOAKHLEQF-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.39
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 104963779) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID104963779
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O2/c15-9-10-1-3-11(4-2-10)13(18)16-7-8-17-14(19)12-5-6-12/h10-12H,1-9,15H2,(H,16,18)(H,17,19)
InChIKeyRUSOUQOAKHLEQF-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.39
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

4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide (CID 104963779) is 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCNC(=O)C2CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is RUSOUQOAKHLEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-9-10-1-3-11(4-2-10)13(18)16-7-8-17-14(19)12-5-6-12/h10-12H,1-9,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104963779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).