4-(2-phenylethyl)heptan-4-amine

C15H25N — CID 121302540

IUPAC4-(2-phenylethyl)heptan-4-amine
SMILESCCCC(N)(CCC)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-11-15(16,12-4-2)13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13,16H2,1-2H3
InChIKeyYWZOXTWOESLNSQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.92
Rot. Bonds7

About 4-(2-phenylethyl)heptan-4-amine

4-(2-phenylethyl)heptan-4-amine (PubChem CID 121302540) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(2-phenylethyl)heptan-4-amine.

Molecular Properties

Compound Name4-(2-phenylethyl)heptan-4-amine
PubChem CID121302540
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(2-phenylethyl)heptan-4-amine
SMILESCCCC(N)(CCC)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-11-15(16,12-4-2)13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13,16H2,1-2H3
InChIKeyYWZOXTWOESLNSQ-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)heptan-4-amine?
The IUPAC name of 4-(2-phenylethyl)heptan-4-amine (CID 121302540) is 4-(2-phenylethyl)heptan-4-amine.
What is the SMILES notation for 4-(2-phenylethyl)heptan-4-amine?
The canonical SMILES for 4-(2-phenylethyl)heptan-4-amine is CCCC(N)(CCC)CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)heptan-4-amine?
The InChIKey is YWZOXTWOESLNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-11-15(16,12-4-2)13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13,16H2,1-2H3.
What are the key properties of 4-(2-phenylethyl)heptan-4-amine?
4-(2-phenylethyl)heptan-4-amine has a molecular weight of 219.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)heptan-4-amine is sourced from PubChem (CID 121302540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).