(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine

C12H21NO — CID 166833364

IUPAC(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(CNCOC)/C(C)=C\C(C)=C/C
InChIInChI=1S/C12H21NO/c1-6-10(2)7-11(3)12(4)8-13-9-14-5/h6-7,13H,4,8-9H2,1-3,5H3/b10-6-,11-7-
InChIKeyHJWYZDHVVAGIGY-SQXCDDPUSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds6

About (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine

(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine (PubChem CID 166833364) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine
PubChem CID166833364
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(CNCOC)/C(C)=C\C(C)=C/C
InChIInChI=1S/C12H21NO/c1-6-10(2)7-11(3)12(4)8-13-9-14-5/h6-7,13H,4,8-9H2,1-3,5H3/b10-6-,11-7-
InChIKeyHJWYZDHVVAGIGY-SQXCDDPUSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine (CID 166833364) is (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine is C=C(CNCOC)/C(C)=C\C(C)=C/C.
What is the InChIKey of (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine?
The InChIKey is HJWYZDHVVAGIGY-SQXCDDPUSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-10(2)7-11(3)12(4)8-13-9-14-5/h6-7,13H,4,8-9H2,1-3,5H3/b10-6-,11-7-.
What are the key properties of (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine?
(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 166833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).