2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine

C17H37N3 — CID 63232980

IUPAC2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-15(3)12-17(7-2,14-18)20(5)13-16-8-10-19(4)11-9-16/h15-16H,6-14,18H2,1-5H3
InChIKeyZGQNREROFPLFNO-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.80
Rot. Bonds8

About 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine

2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine (PubChem CID 63232980) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
PubChem CID63232980
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-15(3)12-17(7-2,14-18)20(5)13-16-8-10-19(4)11-9-16/h15-16H,6-14,18H2,1-5H3
InChIKeyZGQNREROFPLFNO-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
CID 63232902
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 59289572
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine (CID 63232980) is 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine is CCC(C)CC(CC)(CN)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The InChIKey is ZGQNREROFPLFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-15(3)12-17(7-2,14-18)20(5)13-16-8-10-19(4)11-9-16/h15-16H,6-14,18H2,1-5H3.
What are the key properties of 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 63232980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).