2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid

C14H27NO2 — CID 66097341

IUPAC2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-11(15)14(10-12(16)17)7-5-6-13(2,3)8-9-14/h11H,4-10,15H2,1-3H3,(H,16,17)
InChIKeySIZRVCAESLNWNT-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.18
Rot. Bonds4

About 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid

2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid (PubChem CID 66097341) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
PubChem CID66097341
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-11(15)14(10-12(16)17)7-5-6-13(2,3)8-9-14/h11H,4-10,15H2,1-3H3,(H,16,17)
InChIKeySIZRVCAESLNWNT-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid?
The IUPAC name of 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid (CID 66097341) is 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid is CCC(N)C1(CC(=O)O)CCCC(C)(C)CC1.
What is the InChIKey of 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid?
The InChIKey is SIZRVCAESLNWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-11(15)14(10-12(16)17)7-5-6-13(2,3)8-9-14/h11H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid?
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid is sourced from PubChem (CID 66097341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).