(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine

C13H23N — CID 175636856

IUPAC(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine
SMILESC=C(C/C(=C\C)N(C)C)[C@@H](C)/C=C\C
InChIInChI=1S/C13H23N/c1-7-9-11(3)12(4)10-13(8-2)14(5)6/h7-9,11H,4,10H2,1-3,5-6H3/b9-7-,13-8+/t11-/m0/s1
InChIKeyDFGRQJAGWUABHC-QMTXETQWSA-N
MW193.33 g/mol
LogP3.61
Rot. Bonds5

About (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine

(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine (PubChem CID 175636856) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine.

Molecular Properties

Compound Name(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine
PubChem CID175636856
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine
SMILESC=C(C/C(=C\C)N(C)C)[C@@H](C)/C=C\C
InChIInChI=1S/C13H23N/c1-7-9-11(3)12(4)10-13(8-2)14(5)6/h7-9,11H,4,10H2,1-3,5-6H3/b9-7-,13-8+/t11-/m0/s1
InChIKeyDFGRQJAGWUABHC-QMTXETQWSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 123844828
(3E,6E)-4,5-dimethylocta-1,3,6-triene
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2-methylpent-3-enehydrazide
CID 172737407
(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
CID 158643699
ethyl 2-methylpent-3-enoate
CID 53428586
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
(E)-3-methyl-2-oxohex-4-enamide
CID 147197281
3-methylidenehept-5-ene-2,4-diol
CID 90801903
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
2-N-ethyl-1-N-methyl-1-N-propan-2-ylprop-2-ene-1,2-diamine
CID 134600399
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436

Frequently Asked Questions

What is the IUPAC name of (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine?
The IUPAC name of (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine (CID 175636856) is (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine.
What is the SMILES notation for (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine?
The canonical SMILES for (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine is C=C(C/C(=C\C)N(C)C)[C@@H](C)/C=C\C.
What is the InChIKey of (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine?
The InChIKey is DFGRQJAGWUABHC-QMTXETQWSA-N. The full InChI is InChI=1S/C13H23N/c1-7-9-11(3)12(4)10-13(8-2)14(5)6/h7-9,11H,4,10H2,1-3,5-6H3/b9-7-,13-8+/t11-/m0/s1.
What are the key properties of (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine?
(2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S,7Z)-N,N,6-trimethyl-5-methylidenenona-2,7-dien-3-amine is sourced from PubChem (CID 175636856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).