1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide

C14H25N3O2 — CID 64551042

IUPAC1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-4-3-7-14(15,8-10)13(19)17(2)9-12(18)16-11-5-6-11/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyYCLQSFDMQOOOQW-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds4

About 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide

1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 64551042) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID64551042
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-4-3-7-14(15,8-10)13(19)17(2)9-12(18)16-11-5-6-11/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyYCLQSFDMQOOOQW-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 80587918
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide (CID 64551042) is 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(C)CC(=O)NC2CC2)C1.
What is the InChIKey of 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is YCLQSFDMQOOOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-4-3-7-14(15,8-10)13(19)17(2)9-12(18)16-11-5-6-11/h10-11H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide?
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 64551042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).