N-octyl-N-(5-phenylpentyl)octan-1-amine

C27H49N — CID 175488392

IUPACN-octyl-N-(5-phenylpentyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCCCCc1ccccc1
InChIInChI=1S/C27H49N/c1-3-5-7-9-11-18-24-28(25-19-12-10-8-6-4-2)26-20-14-17-23-27-21-15-13-16-22-27/h13,15-16,21-22H,3-12,14,17-20,23-26H2,1-2H3
InChIKeyZZHARKLMENYGKJ-UHFFFAOYSA-N
MW387.70 g/mol
LogP8.42
Rot. Bonds20

About N-octyl-N-(5-phenylpentyl)octan-1-amine

N-octyl-N-(5-phenylpentyl)octan-1-amine (PubChem CID 175488392) has the molecular formula C27H49N and a molecular weight of 387.70 g/mol. Its IUPAC name is N-octyl-N-(5-phenylpentyl)octan-1-amine.

Molecular Properties

Compound NameN-octyl-N-(5-phenylpentyl)octan-1-amine
PubChem CID175488392
Molecular FormulaC27H49N
Molecular Weight387.70 g/mol
Exact Mass387.39
IUPAC NameN-octyl-N-(5-phenylpentyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCCCCc1ccccc1
InChIInChI=1S/C27H49N/c1-3-5-7-9-11-18-24-28(25-19-12-10-8-6-4-2)26-20-14-17-23-27-21-15-13-16-22-27/h13,15-16,21-22H,3-12,14,17-20,23-26H2,1-2H3
InChIKeyZZHARKLMENYGKJ-UHFFFAOYSA-N
XLogP8.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
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6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
octylbenzene
CID 16607
octacosylbenzene
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pentadecane;pentadecylbenzene
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octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
acetylene;dodecylbenzene;ethane
CID 91021097
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(5-phenylpentyl)octan-1-amine?
The IUPAC name of N-octyl-N-(5-phenylpentyl)octan-1-amine (CID 175488392) is N-octyl-N-(5-phenylpentyl)octan-1-amine.
What is the SMILES notation for N-octyl-N-(5-phenylpentyl)octan-1-amine?
The canonical SMILES for N-octyl-N-(5-phenylpentyl)octan-1-amine is CCCCCCCCN(CCCCCCCC)CCCCCc1ccccc1.
What is the InChIKey of N-octyl-N-(5-phenylpentyl)octan-1-amine?
The InChIKey is ZZHARKLMENYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N/c1-3-5-7-9-11-18-24-28(25-19-12-10-8-6-4-2)26-20-14-17-23-27-21-15-13-16-22-27/h13,15-16,21-22H,3-12,14,17-20,23-26H2,1-2H3.
What are the key properties of N-octyl-N-(5-phenylpentyl)octan-1-amine?
N-octyl-N-(5-phenylpentyl)octan-1-amine has a molecular weight of 387.70 g/mol, XLogP of 8.42, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(5-phenylpentyl)octan-1-amine is sourced from PubChem (CID 175488392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).