(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine

C12H23NO — CID 126516377

IUPAC(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C\[C@@H](C)/C=C\CN(C)C(C)OC
InChIInChI=1S/C12H23NO/c1-6-8-11(2)9-7-10-13(4)12(3)14-5/h6-9,11-12H,10H2,1-5H3/b8-6-,9-7-/t11-,12?/m1/s1
InChIKeyYAPZVSZYTPCMKQ-ZINYGWRESA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds6

About (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine

(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine (PubChem CID 126516377) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine
PubChem CID126516377
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C\[C@@H](C)/C=C\CN(C)C(C)OC
InChIInChI=1S/C12H23NO/c1-6-8-11(2)9-7-10-13(4)12(3)14-5/h6-9,11-12H,10H2,1-5H3/b8-6-,9-7-/t11-,12?/m1/s1
InChIKeyYAPZVSZYTPCMKQ-ZINYGWRESA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine?
The IUPAC name of (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine (CID 126516377) is (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine?
The canonical SMILES for (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine is C/C=C\[C@@H](C)/C=C\CN(C)C(C)OC.
What is the InChIKey of (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine?
The InChIKey is YAPZVSZYTPCMKQ-ZINYGWRESA-N. The full InChI is InChI=1S/C12H23NO/c1-6-8-11(2)9-7-10-13(4)12(3)14-5/h6-9,11-12H,10H2,1-5H3/b8-6-,9-7-/t11-,12?/m1/s1.
What are the key properties of (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine?
(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 126516377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).