3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine

C12H25N3 — CID 123186699

IUPAC3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine
SMILESC=CN(C=C)C(CC(C)(C)N)C(C)(C)N
InChIInChI=1S/C12H25N3/c1-7-15(8-2)10(12(5,6)14)9-11(3,4)13/h7-8,10H,1-2,9,13-14H2,3-6H3
InChIKeyLNDIJYAHGKUSPQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.81
Rot. Bonds6

About 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine

3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine (PubChem CID 123186699) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine.

Molecular Properties

Compound Name3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine
PubChem CID123186699
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine
SMILESC=CN(C=C)C(CC(C)(C)N)C(C)(C)N
InChIInChI=1S/C12H25N3/c1-7-15(8-2)10(12(5,6)14)9-11(3,4)13/h7-8,10H,1-2,9,13-14H2,3-6H3
InChIKeyLNDIJYAHGKUSPQ-UHFFFAOYSA-N
XLogP1.81
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine?
The IUPAC name of 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine (CID 123186699) is 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine.
What is the SMILES notation for 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine?
The canonical SMILES for 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine is C=CN(C=C)C(CC(C)(C)N)C(C)(C)N.
What is the InChIKey of 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine?
The InChIKey is LNDIJYAHGKUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-7-15(8-2)10(12(5,6)14)9-11(3,4)13/h7-8,10H,1-2,9,13-14H2,3-6H3.
What are the key properties of 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine?
3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine has a molecular weight of 211.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(ethenyl)-2,5-dimethylhexane-2,3,5-triamine is sourced from PubChem (CID 123186699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).