1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid

C13H25NO2 — CID 82238519

IUPAC1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)CN(C)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)10-14(3)13(12(15)16)8-6-4-5-7-9-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyPBLLHMQZPGSYCR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds4

About 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid

1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 82238519) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
PubChem CID82238519
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)CN(C)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)10-14(3)13(12(15)16)8-6-4-5-7-9-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyPBLLHMQZPGSYCR-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
CID 82238455
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115000390
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
1-(5-methylhexan-2-yl)cycloheptane-1-carboxylic acid
CID 56985098
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 130573712

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid (CID 82238519) is 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid is CC(C)CN(C)C1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is PBLLHMQZPGSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-14(3)13(12(15)16)8-6-4-5-7-9-13/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82238519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).