N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine

C20H29N — CID 89198092

IUPACN-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine
SMILESC=C/C=C\C[C@H](C)N(C1=CCCCC1)C(/C=C\C=C)=C/C
InChIInChI=1S/C20H29N/c1-5-8-11-14-18(4)21(19(7-3)15-9-6-2)20-16-12-10-13-17-20/h5-9,11,15-16,18H,1-2,10,12-14,17H2,3-4H3/b11-8-,15-9-,19-7+/t18-/m0/s1
InChIKeyNLHAYOYRCAXEJV-PJSYKGJUSA-N
MW283.46 g/mol
LogP5.91
Rot. Bonds8

About N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine

N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine (PubChem CID 89198092) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine.

Molecular Properties

Compound NameN-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine
PubChem CID89198092
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine
SMILESC=C/C=C\C[C@H](C)N(C1=CCCCC1)C(/C=C\C=C)=C/C
InChIInChI=1S/C20H29N/c1-5-8-11-14-18(4)21(19(7-3)15-9-6-2)20-16-12-10-13-17-20/h5-9,11,15-16,18H,1-2,10,12-14,17H2,3-4H3/b11-8-,15-9-,19-7+/t18-/m0/s1
InChIKeyNLHAYOYRCAXEJV-PJSYKGJUSA-N
XLogP5.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine?
The IUPAC name of N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine (CID 89198092) is N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine.
What is the SMILES notation for N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine?
The canonical SMILES for N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine is C=C/C=C\C[C@H](C)N(C1=CCCCC1)C(/C=C\C=C)=C/C.
What is the InChIKey of N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine?
The InChIKey is NLHAYOYRCAXEJV-PJSYKGJUSA-N. The full InChI is InChI=1S/C20H29N/c1-5-8-11-14-18(4)21(19(7-3)15-9-6-2)20-16-12-10-13-17-20/h5-9,11,15-16,18H,1-2,10,12-14,17H2,3-4H3/b11-8-,15-9-,19-7+/t18-/m0/s1.
What are the key properties of N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine?
N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4Z)-hepta-4,6-dien-2-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexen-1-amine is sourced from PubChem (CID 89198092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).