(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine

C14H25N — CID 167028667

IUPAC(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine
SMILESC=C(C/C(=C\C)CC)N/C=C\C(C)CC
InChIInChI=1S/C14H25N/c1-6-12(4)9-10-15-13(5)11-14(7-2)8-3/h7,9-10,12,15H,5-6,8,11H2,1-4H3/b10-9-,14-7-
InChIKeyFDAGJTSZWAYEDG-BJAHLWDZSA-N
MW207.36 g/mol
LogP4.40
Rot. Bonds7

About (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine

(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine (PubChem CID 167028667) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine
PubChem CID167028667
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine
SMILESC=C(C/C(=C\C)CC)N/C=C\C(C)CC
InChIInChI=1S/C14H25N/c1-6-12(4)9-10-15-13(5)11-14(7-2)8-3/h7,9-10,12,15H,5-6,8,11H2,1-4H3/b10-9-,14-7-
InChIKeyFDAGJTSZWAYEDG-BJAHLWDZSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
3-ethyl-5-methylhept-2-ene
CID 90962982
3,6-dimethyloct-4-ene
CID 73165576
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
3-ethyl-5,6-dimethyloct-2-ene
CID 123995420
(Z)-N-butyl-3-methylpent-1-en-1-amine
CID 89217712
(5Z)-3,5-diethylocta-2,5-diene
CID 123811464
(E)-4-methylhex-2-en-1-ol
CID 12036147
3,6,11-trimethyl-9-methylidenedodec-4-ene
CID 123241851
2,6-dimethylocta-1,3,4-triene
CID 123341951
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
(Z)-5-methylhept-3-ene
CID 5364727

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine?
The IUPAC name of (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine (CID 167028667) is (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine?
The canonical SMILES for (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine is C=C(C/C(=C\C)CC)N/C=C\C(C)CC.
What is the InChIKey of (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine?
The InChIKey is FDAGJTSZWAYEDG-BJAHLWDZSA-N. The full InChI is InChI=1S/C14H25N/c1-6-12(4)9-10-15-13(5)11-14(7-2)8-3/h7,9-10,12,15H,5-6,8,11H2,1-4H3/b10-9-,14-7-.
What are the key properties of (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine?
(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine has a molecular weight of 207.36 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine is sourced from PubChem (CID 167028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).