5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine

C16H28N2 — CID 172845275

IUPAC5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1cccc(CCCN)c1
InChIInChI=1S/C16H28N2/c1-18(2)13-5-3-4-8-15-9-6-10-16(14-15)11-7-12-17/h6,9-10,14H,3-5,7-8,11-13,17H2,1-2H3
InChIKeyXIGNVECGSGLDFY-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.85
Rot. Bonds9

About 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine

5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine (PubChem CID 172845275) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
PubChem CID172845275
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1cccc(CCCN)c1
InChIInChI=1S/C16H28N2/c1-18(2)13-5-3-4-8-15-9-6-10-16(14-15)11-7-12-17/h6,9-10,14H,3-5,7-8,11-13,17H2,1-2H3
InChIKeyXIGNVECGSGLDFY-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173450545
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N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N-[[3-[5-[3-(dimethylamino)propylamino]pentyl]phenyl]methyl]-N',N'-dimethylheptane-1,7-diamine
CID 146687225
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
CID 66743271
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
CID 137482894
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine (CID 172845275) is 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine is CN(C)CCCCCc1cccc(CCCN)c1.
What is the InChIKey of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine?
The InChIKey is XIGNVECGSGLDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-18(2)13-5-3-4-8-15-9-6-10-16(14-15)11-7-12-17/h6,9-10,14H,3-5,7-8,11-13,17H2,1-2H3.
What are the key properties of 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine?
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 172845275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).