N-(1-phenylpentyl)heptan-1-amine

C18H31N — CID 10084030

IUPACN-(1-phenylpentyl)heptan-1-amine
SMILESCCCCCCCNC(CCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-7-8-12-16-19-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14,18-19H,3-8,12,15-16H2,1-2H3
InChIKeyRKPHZWQDRYECGY-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.48
Rot. Bonds11

About N-(1-phenylpentyl)heptan-1-amine

N-(1-phenylpentyl)heptan-1-amine (PubChem CID 10084030) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-(1-phenylpentyl)heptan-1-amine.

Molecular Properties

Compound NameN-(1-phenylpentyl)heptan-1-amine
PubChem CID10084030
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-(1-phenylpentyl)heptan-1-amine
SMILESCCCCCCCNC(CCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-7-8-12-16-19-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14,18-19H,3-8,12,15-16H2,1-2H3
InChIKeyRKPHZWQDRYECGY-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-[3-(1-phenylpentylamino)propyl]methanesulfonamide
CID 103716746
N-benzhydryldecan-1-amine
CID 57251579
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrate
CID 173442267

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)heptan-1-amine?
The IUPAC name of N-(1-phenylpentyl)heptan-1-amine (CID 10084030) is N-(1-phenylpentyl)heptan-1-amine.
What is the SMILES notation for N-(1-phenylpentyl)heptan-1-amine?
The canonical SMILES for N-(1-phenylpentyl)heptan-1-amine is CCCCCCCNC(CCCC)c1ccccc1.
What is the InChIKey of N-(1-phenylpentyl)heptan-1-amine?
The InChIKey is RKPHZWQDRYECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-7-8-12-16-19-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14,18-19H,3-8,12,15-16H2,1-2H3.
What are the key properties of N-(1-phenylpentyl)heptan-1-amine?
N-(1-phenylpentyl)heptan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)heptan-1-amine is sourced from PubChem (CID 10084030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).