(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine

C13H21N — CID 134267284

IUPAC(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
SMILESC=C(NC)C(/C=C\C)=C/C(=C)C(C)C
InChIInChI=1S/C13H21N/c1-7-8-13(12(5)14-6)9-11(4)10(2)3/h7-10,14H,4-5H2,1-3,6H3/b8-7-,13-9+
InChIKeyCTPUHWOITFZLLC-XTYDYKDCSA-N
MW191.32 g/mol
LogP3.43
Rot. Bonds5

About (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine

(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine (PubChem CID 134267284) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
PubChem CID134267284
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
SMILESC=C(NC)C(/C=C\C)=C/C(=C)C(C)C
InChIInChI=1S/C13H21N/c1-7-8-13(12(5)14-6)9-11(4)10(2)3/h7-10,14H,4-5H2,1-3,6H3/b8-7-,13-9+
InChIKeyCTPUHWOITFZLLC-XTYDYKDCSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.43
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

(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
CID 166803174
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
N-methyl-2-methylidenepent-3-enamide
CID 123693857
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
CID 170199054
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007

Frequently Asked Questions

What is the IUPAC name of (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine?
The IUPAC name of (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine (CID 134267284) is (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine is C=C(NC)C(/C=C\C)=C/C(=C)C(C)C.
What is the InChIKey of (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine?
The InChIKey is CTPUHWOITFZLLC-XTYDYKDCSA-N. The full InChI is InChI=1S/C13H21N/c1-7-8-13(12(5)14-6)9-11(4)10(2)3/h7-10,14H,4-5H2,1-3,6H3/b8-7-,13-9+.
What are the key properties of (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine?
(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine is sourced from PubChem (CID 134267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).