N,N-dibutyldocosan-4-amine;hydrochloride

C30H64ClN — CID 88809757

IUPACN,N-dibutyldocosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(CCC)N(CCCC)CCCC.Cl
InChIInChI=1S/C30H63N.ClH/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(26-8-4)31(28-10-6-2)29-11-7-3;/h30H,5-29H2,1-4H3;1H
InChIKeyBRKXWWREAOPWHB-UHFFFAOYSA-N
MW474.30 g/mol
LogP11.13
Rot. Bonds26

About N,N-dibutyldocosan-4-amine;hydrochloride

N,N-dibutyldocosan-4-amine;hydrochloride (PubChem CID 88809757) has the molecular formula C30H64ClN and a molecular weight of 474.30 g/mol. Its IUPAC name is N,N-dibutyldocosan-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dibutyldocosan-4-amine;hydrochloride
PubChem CID88809757
Molecular FormulaC30H64ClN
Molecular Weight474.30 g/mol
Exact Mass473.47
IUPAC NameN,N-dibutyldocosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(CCC)N(CCCC)CCCC.Cl
InChIInChI=1S/C30H63N.ClH/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(26-8-4)31(28-10-6-2)29-11-7-3;/h30H,5-29H2,1-4H3;1H
InChIKeyBRKXWWREAOPWHB-UHFFFAOYSA-N
XLogP11.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.30
LogP ≤ 511.13
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-dibutyltridecan-4-amine
CID 139649762
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-dibutyldocosan-4-amine;hydrochloride?
The IUPAC name of N,N-dibutyldocosan-4-amine;hydrochloride (CID 88809757) is N,N-dibutyldocosan-4-amine;hydrochloride.
What is the SMILES notation for N,N-dibutyldocosan-4-amine;hydrochloride?
The canonical SMILES for N,N-dibutyldocosan-4-amine;hydrochloride is CCCCCCCCCCCCCCCCCCC(CCC)N(CCCC)CCCC.Cl.
What is the InChIKey of N,N-dibutyldocosan-4-amine;hydrochloride?
The InChIKey is BRKXWWREAOPWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N.ClH/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(26-8-4)31(28-10-6-2)29-11-7-3;/h30H,5-29H2,1-4H3;1H.
What are the key properties of N,N-dibutyldocosan-4-amine;hydrochloride?
N,N-dibutyldocosan-4-amine;hydrochloride has a molecular weight of 474.30 g/mol, XLogP of 11.13, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyldocosan-4-amine;hydrochloride is sourced from PubChem (CID 88809757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).