1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide

C14H25N3O2 — CID 115738026

IUPAC1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCNC(=O)C2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-3-2-6-14(15,9-10)13(19)17-8-7-16-12(18)11-4-5-11/h10-11H,2-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXMKWEDYRDFHRLT-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.54
Rot. Bonds5

About 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 115738026) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID115738026
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCNC(=O)C2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-3-2-6-14(15,9-10)13(19)17-8-7-16-12(18)11-4-5-11/h10-11H,2-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXMKWEDYRDFHRLT-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.54
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

1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 115733626
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclopropane-1-carboxamide
CID 115738006
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 114162134
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906
1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 115739018
1-amino-N-[3-(diethylamino)-3-oxopropyl]-3-methylcyclohexane-1-carboxamide
CID 64549217
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide (CID 115738026) is 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCNC(=O)C2CC2)C1.
What is the InChIKey of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is XMKWEDYRDFHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-3-2-6-14(15,9-10)13(19)17-8-7-16-12(18)11-4-5-11/h10-11H,2-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115738026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).