N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride

C11H24Cl3N — CID 138396609

IUPACN-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CC(Cl)CCl.Cl
InChIInChI=1S/C11H23Cl2N.ClH/c1-3-5-7-14(8-6-4-2)10-11(13)9-12;/h11H,3-10H2,1-2H3;1H
InChIKeyUKWGHWRAJKOQPD-UHFFFAOYSA-N
MW276.68 g/mol
LogP4.16
Rot. Bonds9

About N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride

N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride (PubChem CID 138396609) has the molecular formula C11H24Cl3N and a molecular weight of 276.68 g/mol. Its IUPAC name is N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride
PubChem CID138396609
Molecular FormulaC11H24Cl3N
Molecular Weight276.68 g/mol
Exact Mass275.10
IUPAC NameN-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CC(Cl)CCl.Cl
InChIInChI=1S/C11H23Cl2N.ClH/c1-3-5-7-14(8-6-4-2)10-11(13)9-12;/h11H,3-10H2,1-2H3;1H
InChIKeyUKWGHWRAJKOQPD-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(dibutylamino)propanenitrile
CID 112704081
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
CID 21140406
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
CID 3040181
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
CID 28983336
N,N-bis(2-chloroethyl)pentan-1-amine;dihydrochloride
CID 23513817
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride (CID 138396609) is N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride is CCCCN(CCCC)CC(Cl)CCl.Cl.
What is the InChIKey of N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride?
The InChIKey is UKWGHWRAJKOQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl2N.ClH/c1-3-5-7-14(8-6-4-2)10-11(13)9-12;/h11H,3-10H2,1-2H3;1H.
What are the key properties of N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride?
N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride has a molecular weight of 276.68 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,3-dichloropropyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 138396609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).