2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid

C15H29NO2 — CID 55146706

IUPAC2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)CC(C)N(C)C1CCCCCC1C(=O)O
InChIInChI=1S/C15H29NO2/c1-11(2)10-12(3)16(4)14-9-7-5-6-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyQLYFLJDGBDNCGO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid

2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid (PubChem CID 55146706) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
PubChem CID55146706
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)CC(C)N(C)C1CCCCCC1C(=O)O
InChIInChI=1S/C15H29NO2/c1-11(2)10-12(3)16(4)14-9-7-5-6-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyQLYFLJDGBDNCGO-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid (CID 55146706) is 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid is CC(C)CC(C)N(C)C1CCCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is QLYFLJDGBDNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)10-12(3)16(4)14-9-7-5-6-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid?
2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 55146706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).