(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine

C14H23N — CID 143570235

IUPAC(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine
SMILESC=CC(C(C)C(=C)/C=C\C)N(C)/C=C/C
InChIInChI=1S/C14H23N/c1-7-10-12(4)13(5)14(9-3)15(6)11-8-2/h7-11,13-14H,3-4H2,1-2,5-6H3/b10-7-,11-8+
InChIKeyHECLABYGURZMOP-BDLVGCLISA-N
MW205.34 g/mol
LogP3.77
Rot. Bonds6

About (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine

(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine (PubChem CID 143570235) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine.

Molecular Properties

Compound Name(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine
PubChem CID143570235
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine
SMILESC=CC(C(C)C(=C)/C=C\C)N(C)/C=C/C
InChIInChI=1S/C14H23N/c1-7-10-12(4)13(5)14(9-3)15(6)11-8-2/h7-11,13-14H,3-4H2,1-2,5-6H3/b10-7-,11-8+
InChIKeyHECLABYGURZMOP-BDLVGCLISA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
1-N,1-N'-dimethyl-1-N'-[(Z)-prop-1-enyl]ethane-1,1-diamine
CID 126633418
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine
CID 162389547
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
4-methylidene-5-propyloct-2-ene
CID 90714762
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007
N-ethenyl-N-methylprop-1-en-1-amine
CID 72587772
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308

Frequently Asked Questions

What is the IUPAC name of (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine?
The IUPAC name of (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine (CID 143570235) is (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine.
What is the SMILES notation for (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine?
The canonical SMILES for (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine is C=CC(C(C)C(=C)/C=C\C)N(C)/C=C/C.
What is the InChIKey of (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine?
The InChIKey is HECLABYGURZMOP-BDLVGCLISA-N. The full InChI is InChI=1S/C14H23N/c1-7-10-12(4)13(5)14(9-3)15(6)11-8-2/h7-11,13-14H,3-4H2,1-2,5-6H3/b10-7-,11-8+.
What are the key properties of (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine?
(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine is sourced from PubChem (CID 143570235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).