(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine

C15H25N — CID 88966483

IUPAC(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CNCCCC(=C)C
InChIInChI=1S/C15H25N/c1-6-14(4)9-10-15(5)12-16-11-7-8-13(2)3/h6,9-10,16H,1-2,7-8,11-12H2,3-5H3/b14-9-,15-10+
InChIKeyNRPKBXKRWIKCCB-RRFADNKVSA-N
MW219.37 g/mol
LogP4.01
Rot. Bonds8

About (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine

(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine (PubChem CID 88966483) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine
PubChem CID88966483
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CNCCCC(=C)C
InChIInChI=1S/C15H25N/c1-6-14(4)9-10-15(5)12-16-11-7-8-13(2)3/h6,9-10,16H,1-2,7-8,11-12H2,3-5H3/b14-9-,15-10+
InChIKeyNRPKBXKRWIKCCB-RRFADNKVSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine (CID 88966483) is (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/C)CNCCCC(=C)C.
What is the InChIKey of (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine?
The InChIKey is NRPKBXKRWIKCCB-RRFADNKVSA-N. The full InChI is InChI=1S/C15H25N/c1-6-14(4)9-10-15(5)12-16-11-7-8-13(2)3/h6,9-10,16H,1-2,7-8,11-12H2,3-5H3/b14-9-,15-10+.
What are the key properties of (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine?
(2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,5-dimethyl-N-(4-methylpent-4-enyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 88966483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).