(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine

C13H23NO — CID 138727843

IUPAC(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
SMILESC=C(CNC)/C(C)=C(/C=C\C)OC(C)C
InChIInChI=1S/C13H23NO/c1-7-8-13(15-10(2)3)12(5)11(4)9-14-6/h7-8,10,14H,4,9H2,1-3,5-6H3/b8-7-,13-12-
InChIKeyPQMGKDBOKFCGHB-QOTUMQCOSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds6

About (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine

(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine (PubChem CID 138727843) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
PubChem CID138727843
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
SMILESC=C(CNC)/C(C)=C(/C=C\C)OC(C)C
InChIInChI=1S/C13H23NO/c1-7-8-13(15-10(2)3)12(5)11(4)9-14-6/h7-8,10,14H,4,9H2,1-3,5-6H3/b8-7-,13-12-
InChIKeyPQMGKDBOKFCGHB-QOTUMQCOSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine (CID 138727843) is (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine is C=C(CNC)/C(C)=C(/C=C\C)OC(C)C.
What is the InChIKey of (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine?
The InChIKey is PQMGKDBOKFCGHB-QOTUMQCOSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-8-13(15-10(2)3)12(5)11(4)9-14-6/h7-8,10,14H,4,9H2,1-3,5-6H3/b8-7-,13-12-.
What are the key properties of (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine?
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine is sourced from PubChem (CID 138727843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).