1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid

C15H30N2O2 — CID 79564430

IUPAC1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CCC1CCCC1(NC)C(=O)O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-10-17(12(2)3)11-8-13-7-6-9-15(13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyQIHAKHWZJWEGOV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds8

About 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid

1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79564430) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79564430
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CCC1CCCC1(NC)C(=O)O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-5-10-17(12(2)3)11-8-13-7-6-9-15(13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyQIHAKHWZJWEGOV-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563971
2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563615
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
1-(methylamino)-2-[2-(2-methylpropylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79588230
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 79564430) is 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid is CCCN(CCC1CCCC1(NC)C(=O)O)C(C)C.
What is the InChIKey of 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QIHAKHWZJWEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-10-17(12(2)3)11-8-13-7-6-9-15(13,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).