N,N-dibutyltridecan-4-amine

C21H45N — CID 139649762

IUPACN,N-dibutyltridecan-4-amine
SMILESCCCCCCCCCC(CCC)N(CCCC)CCCC
InChIInChI=1S/C21H45N/c1-5-9-12-13-14-15-16-18-21(17-8-4)22(19-10-6-2)20-11-7-3/h21H,5-20H2,1-4H3
InChIKeyAEJPSTMTJGPUSO-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.20
Rot. Bonds17

About N,N-dibutyltridecan-4-amine

N,N-dibutyltridecan-4-amine (PubChem CID 139649762) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,N-dibutyltridecan-4-amine.

Molecular Properties

Compound NameN,N-dibutyltridecan-4-amine
PubChem CID139649762
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,N-dibutyltridecan-4-amine
SMILESCCCCCCCCCC(CCC)N(CCCC)CCCC
InChIInChI=1S/C21H45N/c1-5-9-12-13-14-15-16-18-21(17-8-4)22(19-10-6-2)20-11-7-3/h21H,5-20H2,1-4H3
InChIKeyAEJPSTMTJGPUSO-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.20
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-dibutyldocosan-4-amine;hydrochloride
CID 88809757
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
N,N-diethyltridecan-4-amine
CID 159822270
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
sodium 6-(dioctylamino)nonanoate
CID 101313592
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
CID 152588936
sodium 4-[di(nonyl)amino]heptanoate
CID 101314791
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
3-(didecylamino)hexanoic acid
CID 101314409
3-[di(tricosyl)amino]hexanoic acid
CID 101314733

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyltridecan-4-amine?
The IUPAC name of N,N-dibutyltridecan-4-amine (CID 139649762) is N,N-dibutyltridecan-4-amine.
What is the SMILES notation for N,N-dibutyltridecan-4-amine?
The canonical SMILES for N,N-dibutyltridecan-4-amine is CCCCCCCCCC(CCC)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyltridecan-4-amine?
The InChIKey is AEJPSTMTJGPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-5-9-12-13-14-15-16-18-21(17-8-4)22(19-10-6-2)20-11-7-3/h21H,5-20H2,1-4H3.
What are the key properties of N,N-dibutyltridecan-4-amine?
N,N-dibutyltridecan-4-amine has a molecular weight of 311.60 g/mol, XLogP of 7.20, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyltridecan-4-amine is sourced from PubChem (CID 139649762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).