(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride

C7H16Cl3N — CID 134886422

IUPAC(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride
SMILESCN(C)[C@H](CCl)CCCCl.Cl
InChIInChI=1S/C7H15Cl2N.ClH/c1-10(2)7(6-9)4-3-5-8;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDUCJSMDRQOYMBP-FJXQXJEOSA-N
MW220.57 g/mol
LogP2.60
Rot. Bonds5

About (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride

(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride (PubChem CID 134886422) has the molecular formula C7H16Cl3N and a molecular weight of 220.57 g/mol. Its IUPAC name is (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride
PubChem CID134886422
Molecular FormulaC7H16Cl3N
Molecular Weight220.57 g/mol
Exact Mass219.03
IUPAC Name(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride
SMILESCN(C)[C@H](CCl)CCCCl.Cl
InChIInChI=1S/C7H15Cl2N.ClH/c1-10(2)7(6-9)4-3-5-8;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDUCJSMDRQOYMBP-FJXQXJEOSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.57
LogP ≤ 52.60
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

Propylamine, 2-chloro-N,N,1-trimethyl-, hydrochloride
CID 5746313
(1,5-Dichloropentan-3-yl)dimethylamine hydrochloride
CID 165755985
N-(2-Chloroethyl)-N-methyl-4-chlorobutylamine hydrochloride
CID 3027781
4-Chlorobutyl(trimethyl)azanium chloride
CID 13508503
5-Chloropentyl(trimethyl)azanium chloride
CID 13508505
4-chloro-N-(2-chloroethyl)-N-methylbutan-2-amine
CID 123345058
4-chloro-N-(2-chloroethyl)-N-ethylbutan-2-amine
CID 123454534
(1,5-Dichloropentan-3-yl)dimethylamine
CID 129920958
1-chloro-N,N-dimethylbutan-2-amine
CID 413643
5-chloro-N-(2-chloroethyl)-N-methylpentan-1-amine
CID 5745071
4-Chloro-N,N-dimethyl-2-butanamine Hydrochloride
CID 13853496
5-chloro-N,N-dimethylpentan-1-amine;hydrochloride
CID 20030389

Frequently Asked Questions

What is the IUPAC name of (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride?
The IUPAC name of (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride (CID 134886422) is (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride is CN(C)[C@H](CCl)CCCCl.Cl.
What is the InChIKey of (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride?
The InChIKey is DUCJSMDRQOYMBP-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15Cl2N.ClH/c1-10(2)7(6-9)4-3-5-8;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride?
(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride has a molecular weight of 220.57 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride is sourced from PubChem (CID 134886422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).