1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid

C14H24N2O2 — CID 79635913

IUPAC1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O2/c1-16(11-6-7-11)12-3-2-8-14(9-12,13(17)18)15-10-4-5-10/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyNNRBHDHTCUBUPJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds5

About 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79635913) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79635913
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O2/c1-16(11-6-7-11)12-3-2-8-14(9-12,13(17)18)15-10-4-5-10/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyNNRBHDHTCUBUPJ-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 79654717
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 79635913) is 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C1CC1)C1CCCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NNRBHDHTCUBUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(11-6-7-11)12-3-2-8-14(9-12,13(17)18)15-10-4-5-10/h10-12,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79635913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).