4,4-dipentylnonan-1-amine

C19H41N — CID 88632324

IUPAC4,4-dipentylnonan-1-amine
SMILESCCCCCC(CCCN)(CCCCC)CCCCC
InChIInChI=1S/C19H41N/c1-4-7-10-14-19(17-13-18-20,15-11-8-5-2)16-12-9-6-3/h4-18,20H2,1-3H3
InChIKeyQVELRAUHYXDHLO-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.45
Rot. Bonds15

About 4,4-dipentylnonan-1-amine

4,4-dipentylnonan-1-amine (PubChem CID 88632324) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 4,4-dipentylnonan-1-amine.

Molecular Properties

Compound Name4,4-dipentylnonan-1-amine
PubChem CID88632324
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name4,4-dipentylnonan-1-amine
SMILESCCCCCC(CCCN)(CCCCC)CCCCC
InChIInChI=1S/C19H41N/c1-4-7-10-14-19(17-13-18-20,15-11-8-5-2)16-12-9-6-3/h4-18,20H2,1-3H3
InChIKeyQVELRAUHYXDHLO-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.45
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

6,6-dipentylundecane
CID 19690398
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
10,10-dibutylicosane
CID 151498539
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
4-pentadecylheptane-1,4,7-triamine
CID 156536321
4,4-dimethyltridecan-1-amine
CID 172686024
(Z)-18,18-dibutyldocos-9-en-1-amine
CID 169038477
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049

Frequently Asked Questions

What is the IUPAC name of 4,4-dipentylnonan-1-amine?
The IUPAC name of 4,4-dipentylnonan-1-amine (CID 88632324) is 4,4-dipentylnonan-1-amine.
What is the SMILES notation for 4,4-dipentylnonan-1-amine?
The canonical SMILES for 4,4-dipentylnonan-1-amine is CCCCCC(CCCN)(CCCCC)CCCCC.
What is the InChIKey of 4,4-dipentylnonan-1-amine?
The InChIKey is QVELRAUHYXDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-4-7-10-14-19(17-13-18-20,15-11-8-5-2)16-12-9-6-3/h4-18,20H2,1-3H3.
What are the key properties of 4,4-dipentylnonan-1-amine?
4,4-dipentylnonan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.45, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipentylnonan-1-amine is sourced from PubChem (CID 88632324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).