(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine

C26H40N2 — CID 143721823

IUPAC(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine
SMILESC=CC(=C\C=C/C)/C(C)=N/C(CNCC1(C(C)C)CCC1)=C(C)/C=C\C=C/C
InChIInChI=1S/C26H40N2/c1-8-11-13-15-22(6)25(28-23(7)24(10-3)16-12-9-2)19-27-20-26(21(4)5)17-14-18-26/h8-13,15-16,21,27H,3,14,17-20H2,1-2,4-7H3/b11-8-,12-9-,15-13-,24-16+,25-22+,28-23+
InChIKeyDRPFKXJTLQWRCM-JKJFBKKKSA-N
MW380.62 g/mol
LogP6.96
Rot. Bonds11

About (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine

(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine (PubChem CID 143721823) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine
PubChem CID143721823
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine
SMILESC=CC(=C\C=C/C)/C(C)=N/C(CNCC1(C(C)C)CCC1)=C(C)/C=C\C=C/C
InChIInChI=1S/C26H40N2/c1-8-11-13-15-22(6)25(28-23(7)24(10-3)16-12-9-2)19-27-20-26(21(4)5)17-14-18-26/h8-13,15-16,21,27H,3,14,17-20H2,1-2,4-7H3/b11-8-,12-9-,15-13-,24-16+,25-22+,28-23+
InChIKeyDRPFKXJTLQWRCM-JKJFBKKKSA-N
XLogP6.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine (CID 143721823) is (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine is C=CC(=C\C=C/C)/C(C)=N/C(CNCC1(C(C)C)CCC1)=C(C)/C=C\C=C/C.
What is the InChIKey of (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine?
The InChIKey is DRPFKXJTLQWRCM-JKJFBKKKSA-N. The full InChI is InChI=1S/C26H40N2/c1-8-11-13-15-22(6)25(28-23(7)24(10-3)16-12-9-2)19-27-20-26(21(4)5)17-14-18-26/h8-13,15-16,21,27H,3,14,17-20H2,1-2,4-7H3/b11-8-,12-9-,15-13-,24-16+,25-22+,28-23+.
What are the key properties of (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine?
(2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine has a molecular weight of 380.62 g/mol, XLogP of 6.96, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-3-methyl-N-[(1-propan-2-ylcyclobutyl)methyl]octa-2,4,6-trien-1-amine is sourced from PubChem (CID 143721823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).