(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine

C24H40N2 — CID 134567008

IUPAC(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine
SMILESC=C(C)C/C(=C\C=C(/C)C(=C)NCC1(C(C)/C=C\C)CCCCC1)NC
InChIInChI=1S/C24H40N2/c1-8-12-21(5)24(15-10-9-11-16-24)18-26-22(6)20(4)13-14-23(25-7)17-19(2)3/h8,12-14,21,25-26H,2,6,9-11,15-18H2,1,3-5,7H3/b12-8-,20-13+,23-14+
InChIKeyLRXJTLALEXVBCZ-XSIUINFXSA-N
MW356.60 g/mol
LogP6.27
Rot. Bonds10

About (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine

(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine (PubChem CID 134567008) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine.

Molecular Properties

Compound Name(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine
PubChem CID134567008
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine
SMILESC=C(C)C/C(=C\C=C(/C)C(=C)NCC1(C(C)/C=C\C)CCCCC1)NC
InChIInChI=1S/C24H40N2/c1-8-12-21(5)24(15-10-9-11-16-24)18-26-22(6)20(4)13-14-23(25-7)17-19(2)3/h8,12-14,21,25-26H,2,6,9-11,15-18H2,1,3-5,7H3/b12-8-,20-13+,23-14+
InChIKeyLRXJTLALEXVBCZ-XSIUINFXSA-N
XLogP6.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.27
H-Bond Donors ≤ 52
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 (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine?
The IUPAC name of (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine (CID 134567008) is (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine.
What is the SMILES notation for (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine?
The canonical SMILES for (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine is C=C(C)C/C(=C\C=C(/C)C(=C)NCC1(C(C)/C=C\C)CCCCC1)NC.
What is the InChIKey of (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine?
The InChIKey is LRXJTLALEXVBCZ-XSIUINFXSA-N. The full InChI is InChI=1S/C24H40N2/c1-8-12-21(5)24(15-10-9-11-16-24)18-26-22(6)20(4)13-14-23(25-7)17-19(2)3/h8,12-14,21,25-26H,2,6,9-11,15-18H2,1,3-5,7H3/b12-8-,20-13+,23-14+.
What are the key properties of (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine?
(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine has a molecular weight of 356.60 g/mol, XLogP of 6.27, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine is sourced from PubChem (CID 134567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).