(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine

C14H23N — CID 145042717

IUPAC(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
SMILESC=C(/C=C\C=C/C)CCNC/C(C)=C/C
InChIInChI=1S/C14H23N/c1-5-7-8-9-14(4)10-11-15-12-13(3)6-2/h5-9,15H,4,10-12H2,1-3H3/b7-5-,9-8-,13-6+
InChIKeyTWRYKMRTIIMWQD-GUCZFXPMSA-N
MW205.34 g/mol
LogP3.62
Rot. Bonds7

About (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine

(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine (PubChem CID 145042717) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
PubChem CID145042717
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
SMILESC=C(/C=C\C=C/C)CCNC/C(C)=C/C
InChIInChI=1S/C14H23N/c1-5-7-8-9-14(4)10-11-15-12-13(3)6-2/h5-9,15H,4,10-12H2,1-3H3/b7-5-,9-8-,13-6+
InChIKeyTWRYKMRTIIMWQD-GUCZFXPMSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.62
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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Related Compounds

2-methylhepta-1,3,5-triene
CID 54571604
(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
CID 143341887
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
CID 176995030
N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 143508442
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
CID 143998007
N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
CID 155225919
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
CID 134526328
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
[2-[(E)-but-2-en-2-yl]phenyl]methanamine;2-methylbut-1-ene;(4Z,6Z)-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
CID 143932432

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine (CID 145042717) is (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine is C=C(/C=C\C=C/C)CCNC/C(C)=C/C.
What is the InChIKey of (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine?
The InChIKey is TWRYKMRTIIMWQD-GUCZFXPMSA-N. The full InChI is InChI=1S/C14H23N/c1-5-7-8-9-14(4)10-11-15-12-13(3)6-2/h5-9,15H,4,10-12H2,1-3H3/b7-5-,9-8-,13-6+.
What are the key properties of (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine?
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine is sourced from PubChem (CID 145042717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).