1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine

C19H31N — CID 65086951

IUPAC1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyPWUYSCJIPYXZPG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine

1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086951) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086951
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyPWUYSCJIPYXZPG-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086951) is 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PWUYSCJIPYXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3.
What are the key properties of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).