2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid

C14H27NO2 — CID 66096455

IUPAC2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
SMILESCC(C)C1CCCC(CC(=O)O)(C(C)N)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)12-5-4-7-14(8-6-12,11(3)15)9-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyFSOLCZNFIZFHFT-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid

2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid (PubChem CID 66096455) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
PubChem CID66096455
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
SMILESCC(C)C1CCCC(CC(=O)O)(C(C)N)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)12-5-4-7-14(8-6-12,11(3)15)9-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyFSOLCZNFIZFHFT-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66092109
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
CID 70185847
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid?
The IUPAC name of 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid (CID 66096455) is 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid is CC(C)C1CCCC(CC(=O)O)(C(C)N)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid?
The InChIKey is FSOLCZNFIZFHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)12-5-4-7-14(8-6-12,11(3)15)9-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid?
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid is sourced from PubChem (CID 66096455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).