3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid

C17H30N2O2 — CID 79633832

IUPAC3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC(N(CC2CC2)C2CC2)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)18-17(16(20)21)9-3-4-15(10-17)19(14-7-8-14)11-13-5-6-13/h12-15,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyKYCLLAPSMNDBOV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.62
Rot. Bonds7

About 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid

3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 79633832) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID79633832
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC(N(CC2CC2)C2CC2)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)18-17(16(20)21)9-3-4-15(10-17)19(14-7-8-14)11-13-5-6-13/h12-15,18H,3-11H2,1-2H3,(H,20,21)
InChIKeyKYCLLAPSMNDBOV-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79626494
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79644944
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626764

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid (CID 79633832) is 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC(N(CC2CC2)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is KYCLLAPSMNDBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)18-17(16(20)21)9-3-4-15(10-17)19(14-7-8-14)11-13-5-6-13/h12-15,18H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid?
3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79633832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).