ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine

C25H35N — CID 143032251

IUPACethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine
SMILESC=C(/C=C\NC)CC(=C)c1ccc(C(=C)/C(C)=C\C=C/C)c(C)c1.CC
InChIInChI=1S/C23H29N.C2H6/c1-8-9-10-18(3)21(6)23-12-11-22(16-20(23)5)19(4)15-17(2)13-14-24-7;1-2/h8-14,16,24H,2,4,6,15H2,1,3,5,7H3;1-2H3/b9-8-,14-13-,18-10-;
InChIKeySRLXFDPWIKRHLZ-JRBSDPOESA-N
MW349.56 g/mol
LogP7.25
Rot. Bonds8

About ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine

ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine (PubChem CID 143032251) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine
PubChem CID143032251
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Nameethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine
SMILESC=C(/C=C\NC)CC(=C)c1ccc(C(=C)/C(C)=C\C=C/C)c(C)c1.CC
InChIInChI=1S/C23H29N.C2H6/c1-8-9-10-18(3)21(6)23-12-11-22(16-20(23)5)19(4)15-17(2)13-14-24-7;1-2/h8-14,16,24H,2,4,6,15H2,1,3,5,7H3;1-2H3/b9-8-,14-13-,18-10-;
InChIKeySRLXFDPWIKRHLZ-JRBSDPOESA-N
XLogP7.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine?
The IUPAC name of ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine (CID 143032251) is ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine?
The canonical SMILES for ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine is C=C(/C=C\NC)CC(=C)c1ccc(C(=C)/C(C)=C\C=C/C)c(C)c1.CC.
What is the InChIKey of ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine?
The InChIKey is SRLXFDPWIKRHLZ-JRBSDPOESA-N. The full InChI is InChI=1S/C23H29N.C2H6/c1-8-9-10-18(3)21(6)23-12-11-22(16-20(23)5)19(4)15-17(2)13-14-24-7;1-2/h8-14,16,24H,2,4,6,15H2,1,3,5,7H3;1-2H3/b9-8-,14-13-,18-10-;.
What are the key properties of ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine?
ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine has a molecular weight of 349.56 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-N-methyl-3-methylidene-5-[3-methyl-4-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]phenyl]hexa-1,5-dien-1-amine is sourced from PubChem (CID 143032251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).