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

C12H29ClN2 — CID 115607911

IUPACN'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
SMILESCCC(C)N(C)CCNCC(C)(C)C.Cl
InChIInChI=1S/C12H28N2.ClH/c1-7-11(2)14(6)9-8-13-10-12(3,4)5;/h11,13H,7-10H2,1-6H3;1H
InChIKeyDUPGCJFOXMFPPU-UHFFFAOYSA-N
MW236.83 g/mol
LogP2.77
Rot. Bonds6

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

N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride (PubChem CID 115607911) has the molecular formula C12H29ClN2 and a molecular weight of 236.83 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
PubChem CID115607911
Molecular FormulaC12H29ClN2
Molecular Weight236.83 g/mol
Exact Mass236.20
IUPAC NameN'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
SMILESCCC(C)N(C)CCNCC(C)(C)C.Cl
InChIInChI=1S/C12H28N2.ClH/c1-7-11(2)14(6)9-8-13-10-12(3,4)5;/h11,13H,7-10H2,1-6H3;1H
InChIKeyDUPGCJFOXMFPPU-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.83
LogP ≤ 52.77
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-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944
N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
CID 115615727
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
1-[butan-2-yl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62625289
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
CID 113357824

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride (CID 115607911) is N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride is CCC(C)N(C)CCNCC(C)(C)C.Cl.
What is the InChIKey of N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
The InChIKey is DUPGCJFOXMFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2.ClH/c1-7-11(2)14(6)9-8-13-10-12(3,4)5;/h11,13H,7-10H2,1-6H3;1H.
What are the key properties of N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride?
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride has a molecular weight of 236.83 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115607911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).