1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine

C25H40N2 — CID 170354967

IUPAC1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine
SMILESC=CC(C)/C(C)=C(\C)C(=C)NC(=C)N(C(/C(C)=C\C)=C(/C)C(=C)C)C(C)C
InChIInChI=1S/C25H40N2/c1-14-18(7)21(10)22(11)23(12)26-24(13)27(17(5)6)25(19(8)15-2)20(9)16(3)4/h14-15,17-18,26H,1,3,12-13H2,2,4-11H3/b19-15-,22-21+,25-20+
InChIKeyMCHNCQKPJANJRD-NSQMJPMZSA-N
MW368.61 g/mol
LogP7.25
Rot. Bonds10

About 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine

1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine (PubChem CID 170354967) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine
PubChem CID170354967
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine
SMILESC=CC(C)/C(C)=C(\C)C(=C)NC(=C)N(C(/C(C)=C\C)=C(/C)C(=C)C)C(C)C
InChIInChI=1S/C25H40N2/c1-14-18(7)21(10)22(11)23(12)26-24(13)27(17(5)6)25(19(8)15-2)20(9)16(3)4/h14-15,17-18,26H,1,3,12-13H2,2,4-11H3/b19-15-,22-21+,25-20+
InChIKeyMCHNCQKPJANJRD-NSQMJPMZSA-N
XLogP7.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine?
The IUPAC name of 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine (CID 170354967) is 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine is C=CC(C)/C(C)=C(\C)C(=C)NC(=C)N(C(/C(C)=C\C)=C(/C)C(=C)C)C(C)C.
What is the InChIKey of 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine?
The InChIKey is MCHNCQKPJANJRD-NSQMJPMZSA-N. The full InChI is InChI=1S/C25H40N2/c1-14-18(7)21(10)22(11)23(12)26-24(13)27(17(5)6)25(19(8)15-2)20(9)16(3)4/h14-15,17-18,26H,1,3,12-13H2,2,4-11H3/b19-15-,22-21+,25-20+.
What are the key properties of 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine?
1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine has a molecular weight of 368.61 g/mol, XLogP of 7.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-propan-2-yl-1-N-[(3E)-3,4,5-trimethylhepta-1,3,6-trien-2-yl]-1-N'-[(3E,5Z)-2,3,5-trimethylhepta-1,3,5-trien-4-yl]ethene-1,1-diamine is sourced from PubChem (CID 170354967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).