2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine

C10H22N2 — CID 163958435

IUPAC2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine
SMILESC=CN(C)C(C)C(C)(N)CCC
InChIInChI=1S/C10H22N2/c1-6-8-10(4,11)9(3)12(5)7-2/h7,9H,2,6,8,11H2,1,3-5H3
InChIKeySFKHEQUXXKSXMM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.97
Rot. Bonds5

About 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine

2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine (PubChem CID 163958435) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine.

Molecular Properties

Compound Name2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine
PubChem CID163958435
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine
SMILESC=CN(C)C(C)C(C)(N)CCC
InChIInChI=1S/C10H22N2/c1-6-8-10(4,11)9(3)12(5)7-2/h7,9H,2,6,8,11H2,1,3-5H3
InChIKeySFKHEQUXXKSXMM-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-methyl-2-propylpent-4-enoic acid
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1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035
1-methyl-1-(4-methylheptan-4-yl)hydrazine
CID 151392665
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
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CID 102641061
N-(4-methyloctan-4-yl)methanimine
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4-methyl-4-propylhept-1-ene
CID 139926982

Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine?
The IUPAC name of 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine (CID 163958435) is 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine.
What is the SMILES notation for 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine?
The canonical SMILES for 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine is C=CN(C)C(C)C(C)(N)CCC.
What is the InChIKey of 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine?
The InChIKey is SFKHEQUXXKSXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-8-10(4,11)9(3)12(5)7-2/h7,9H,2,6,8,11H2,1,3-5H3.
What are the key properties of 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine?
2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine is sourced from PubChem (CID 163958435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).