(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine

C12H24N2 — CID 163494163

IUPAC(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine
SMILESC=C(/C(C)=C\NC)[C@@H](C)C[C@H](C)NC
InChIInChI=1S/C12H24N2/c1-9(7-11(3)14-6)12(4)10(2)8-13-5/h8-9,11,13-14H,4,7H2,1-3,5-6H3/b10-8-/t9-,11-/m0/s1
InChIKeyCPGDDPQBVAAODD-SMQKJXJPSA-N
MW196.34 g/mol
LogP2.30
Rot. Bonds6

About (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine

(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine (PubChem CID 163494163) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine.

Molecular Properties

Compound Name(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine
PubChem CID163494163
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine
SMILESC=C(/C(C)=C\NC)[C@@H](C)C[C@H](C)NC
InChIInChI=1S/C12H24N2/c1-9(7-11(3)14-6)12(4)10(2)8-13-5/h8-9,11,13-14H,4,7H2,1-3,5-6H3/b10-8-/t9-,11-/m0/s1
InChIKeyCPGDDPQBVAAODD-SMQKJXJPSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine?
The IUPAC name of (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine (CID 163494163) is (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine.
What is the SMILES notation for (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine?
The canonical SMILES for (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine is C=C(/C(C)=C\NC)[C@@H](C)C[C@H](C)NC.
What is the InChIKey of (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine?
The InChIKey is CPGDDPQBVAAODD-SMQKJXJPSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(7-11(3)14-6)12(4)10(2)8-13-5/h8-9,11,13-14H,4,7H2,1-3,5-6H3/b10-8-/t9-,11-/m0/s1.
What are the key properties of (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine?
(Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S,6S)-1-N,6-N,2,4-tetramethyl-3-methylidenehept-1-ene-1,6-diamine is sourced from PubChem (CID 163494163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).