N-pentyl-1-phenyldecan-1-amine

C21H37N — CID 10380274

IUPACN-pentyl-1-phenyldecan-1-amine
SMILESCCCCCCCCCC(NCCCCC)c1ccccc1
InChIInChI=1S/C21H37N/c1-3-5-7-8-9-10-14-18-21(22-19-15-6-4-2)20-16-12-11-13-17-20/h11-13,16-17,21-22H,3-10,14-15,18-19H2,1-2H3
InChIKeyIRTZSUMWGOGQGO-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.65
Rot. Bonds14

About N-pentyl-1-phenyldecan-1-amine

N-pentyl-1-phenyldecan-1-amine (PubChem CID 10380274) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-pentyl-1-phenyldecan-1-amine.

Molecular Properties

Compound NameN-pentyl-1-phenyldecan-1-amine
PubChem CID10380274
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-pentyl-1-phenyldecan-1-amine
SMILESCCCCCCCCCC(NCCCCC)c1ccccc1
InChIInChI=1S/C21H37N/c1-3-5-7-8-9-10-14-18-21(22-19-15-6-4-2)20-16-12-11-13-17-20/h11-13,16-17,21-22H,3-10,14-15,18-19H2,1-2H3
InChIKeyIRTZSUMWGOGQGO-UHFFFAOYSA-N
XLogP6.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.65
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-(1-phenylpentyl)heptan-1-amine
CID 10084030
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-benzhydryldecan-1-amine
CID 57251579
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-phenyldecan-1-amine?
The IUPAC name of N-pentyl-1-phenyldecan-1-amine (CID 10380274) is N-pentyl-1-phenyldecan-1-amine.
What is the SMILES notation for N-pentyl-1-phenyldecan-1-amine?
The canonical SMILES for N-pentyl-1-phenyldecan-1-amine is CCCCCCCCCC(NCCCCC)c1ccccc1.
What is the InChIKey of N-pentyl-1-phenyldecan-1-amine?
The InChIKey is IRTZSUMWGOGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-3-5-7-8-9-10-14-18-21(22-19-15-6-4-2)20-16-12-11-13-17-20/h11-13,16-17,21-22H,3-10,14-15,18-19H2,1-2H3.
What are the key properties of N-pentyl-1-phenyldecan-1-amine?
N-pentyl-1-phenyldecan-1-amine has a molecular weight of 303.53 g/mol, XLogP of 6.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-phenyldecan-1-amine is sourced from PubChem (CID 10380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).