6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine

C13H21NO — CID 90700506

IUPAC6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(C=CC(=CC)OCC1CC1)C(C)N
InChIInChI=1S/C13H21NO/c1-4-13(15-9-12-6-7-12)8-5-10(2)11(3)14/h4-5,8,11-12H,2,6-7,9,14H2,1,3H3
InChIKeyNPUIRKWWTWOCJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds6

About 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine

6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine (PubChem CID 90700506) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine
PubChem CID90700506
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(C=CC(=CC)OCC1CC1)C(C)N
InChIInChI=1S/C13H21NO/c1-4-13(15-9-12-6-7-12)8-5-10(2)11(3)14/h4-5,8,11-12H,2,6-7,9,14H2,1,3H3
InChIKeyNPUIRKWWTWOCJX-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
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 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine (CID 90700506) is 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine is C=C(C=CC(=CC)OCC1CC1)C(C)N.
What is the InChIKey of 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine?
The InChIKey is NPUIRKWWTWOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(15-9-12-6-7-12)8-5-10(2)11(3)14/h4-5,8,11-12H,2,6-7,9,14H2,1,3H3.
What are the key properties of 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine?
6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-3-methylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 90700506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).