(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine

C13H21N — CID 143998007

IUPAC(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C=C(C)C)CCNC(=C)C
InChIInChI=1S/C13H21N/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h6-8,14H,3,5,9-10H2,1-2,4H3/b8-6-
InChIKeyYNDJBQVEUVMYSG-VURMDHGXSA-N
MW191.32 g/mol
LogP3.58
Rot. Bonds6

About (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine

(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine (PubChem CID 143998007) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
PubChem CID143998007
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C=C(C)C)CCNC(=C)C
InChIInChI=1S/C13H21N/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h6-8,14H,3,5,9-10H2,1-2,4H3/b8-6-
InChIKeyYNDJBQVEUVMYSG-VURMDHGXSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
2-[5-[1-[[(4Z)-7-methyl-3-methylideneocta-4,6-dienyl]amino]ethenyl]-6-(3-phenylpropyl)-2-pyridinyl]benzonitrile
CID 143621173
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
[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
2-(prop-1-en-2-ylamino)ethanol
CID 15413083
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
CID 143021023
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145

Frequently Asked Questions

What is the IUPAC name of (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine?
The IUPAC name of (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine (CID 143998007) is (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine is C=C(/C=C\C=C(C)C)CCNC(=C)C.
What is the InChIKey of (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine?
The InChIKey is YNDJBQVEUVMYSG-VURMDHGXSA-N. The full InChI is InChI=1S/C13H21N/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h6-8,14H,3,5,9-10H2,1-2,4H3/b8-6-.
What are the key properties of (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine?
(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine is sourced from PubChem (CID 143998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).