N-(1-phenylpentyl)cycloheptanamine

C18H29N — CID 43767069

IUPACN-(1-phenylpentyl)cycloheptanamine
SMILESCCCCC(NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-2-3-15-18(16-11-7-6-8-12-16)19-17-13-9-4-5-10-14-17/h6-8,11-12,17-19H,2-5,9-10,13-15H2,1H3
InChIKeyGFCGZABJZXUFLE-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.23
Rot. Bonds6

About N-(1-phenylpentyl)cycloheptanamine

N-(1-phenylpentyl)cycloheptanamine (PubChem CID 43767069) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(1-phenylpentyl)cycloheptanamine.

Molecular Properties

Compound NameN-(1-phenylpentyl)cycloheptanamine
PubChem CID43767069
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(1-phenylpentyl)cycloheptanamine
SMILESCCCCC(NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-2-3-15-18(16-11-7-6-8-12-16)19-17-13-9-4-5-10-14-17/h6-8,11-12,17-19H,2-5,9-10,13-15H2,1H3
InChIKeyGFCGZABJZXUFLE-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)cycloheptanamine?
The IUPAC name of N-(1-phenylpentyl)cycloheptanamine (CID 43767069) is N-(1-phenylpentyl)cycloheptanamine.
What is the SMILES notation for N-(1-phenylpentyl)cycloheptanamine?
The canonical SMILES for N-(1-phenylpentyl)cycloheptanamine is CCCCC(NC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylpentyl)cycloheptanamine?
The InChIKey is GFCGZABJZXUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-15-18(16-11-7-6-8-12-16)19-17-13-9-4-5-10-14-17/h6-8,11-12,17-19H,2-5,9-10,13-15H2,1H3.
What are the key properties of N-(1-phenylpentyl)cycloheptanamine?
N-(1-phenylpentyl)cycloheptanamine has a molecular weight of 259.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)cycloheptanamine is sourced from PubChem (CID 43767069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).