N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride

C14H31ClN2 — CID 115607501

IUPACN'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
SMILESCN(CCNCC(C)(C)C)C1CCCCC1.Cl
InChIInChI=1S/C14H30N2.ClH/c1-14(2,3)12-15-10-11-16(4)13-8-6-5-7-9-13;/h13,15H,5-12H2,1-4H3;1H
InChIKeyBHQPZMUQSFLKHD-UHFFFAOYSA-N
MW262.87 g/mol
LogP3.31
Rot. Bonds5

About N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride

N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride (PubChem CID 115607501) has the molecular formula C14H31ClN2 and a molecular weight of 262.87 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
PubChem CID115607501
Molecular FormulaC14H31ClN2
Molecular Weight262.87 g/mol
Exact Mass262.22
IUPAC NameN'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
SMILESCN(CCNCC(C)(C)C)C1CCCCC1.Cl
InChIInChI=1S/C14H30N2.ClH/c1-14(2,3)12-15-10-11-16(4)13-8-6-5-7-9-13;/h13,15H,5-12H2,1-4H3;1H
InChIKeyBHQPZMUQSFLKHD-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62257203
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
CID 115615727

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride (CID 115607501) is N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride is CN(CCNCC(C)(C)C)C1CCCCC1.Cl.
What is the InChIKey of N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The InChIKey is BHQPZMUQSFLKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.ClH/c1-14(2,3)12-15-10-11-16(4)13-8-6-5-7-9-13;/h13,15H,5-12H2,1-4H3;1H.
What are the key properties of N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride has a molecular weight of 262.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115607501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).