3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine

C12H24N2 — CID 89317933

IUPAC3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine
SMILESC=CC(NC(C)C)C(C=C)NC(C)C
InChIInChI=1S/C12H24N2/c1-7-11(13-9(3)4)12(8-2)14-10(5)6/h7-14H,1-2H2,3-6H3
InChIKeyNKXYGPFCARJZKN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.09
Rot. Bonds7

About 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine

3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine (PubChem CID 89317933) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine
PubChem CID89317933
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine
SMILESC=CC(NC(C)C)C(C=C)NC(C)C
InChIInChI=1S/C12H24N2/c1-7-11(13-9(3)4)12(8-2)14-10(5)6/h7-14H,1-2H2,3-6H3
InChIKeyNKXYGPFCARJZKN-UHFFFAOYSA-N
XLogP2.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine?
The IUPAC name of 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine (CID 89317933) is 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine.
What is the SMILES notation for 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine?
The canonical SMILES for 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine is C=CC(NC(C)C)C(C=C)NC(C)C.
What is the InChIKey of 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine?
The InChIKey is NKXYGPFCARJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-11(13-9(3)4)12(8-2)14-10(5)6/h7-14H,1-2H2,3-6H3.
What are the key properties of 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine?
3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-di(propan-2-yl)hexa-1,5-diene-3,4-diamine is sourced from PubChem (CID 89317933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).