(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine

C12H17N — CID 170231380

IUPAC(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(NC(=C)C)=C(\C)C=C
InChIInChI=1S/C12H17N/c1-6-8-9-12(11(5)7-2)13-10(3)4/h6-9,13H,1-3H2,4-5H3/b9-8-,12-11+
InChIKeyBGZLJCYMNJNEON-UONSLQGUSA-N
MW175.27 g/mol
LogP3.31
Rot. Bonds5

About (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine

(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine (PubChem CID 170231380) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
PubChem CID170231380
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(NC(=C)C)=C(\C)C=C
InChIInChI=1S/C12H17N/c1-6-8-9-12(11(5)7-2)13-10(3)4/h6-9,13H,1-3H2,4-5H3/b9-8-,12-11+
InChIKeyBGZLJCYMNJNEON-UONSLQGUSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.31
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

(3E,4Z)-3-ethylidene-N-prop-1-en-2-ylhepta-1,4,6-trien-2-amine
CID 170141332
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
CID 138613893
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine (CID 170231380) is (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine is C=C/C=C\C(NC(=C)C)=C(\C)C=C.
What is the InChIKey of (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine?
The InChIKey is BGZLJCYMNJNEON-UONSLQGUSA-N. The full InChI is InChI=1S/C12H17N/c1-6-8-9-12(11(5)7-2)13-10(3)4/h6-9,13H,1-3H2,4-5H3/b9-8-,12-11+.
What are the key properties of (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine?
(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine has a molecular weight of 175.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 170231380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).