4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine

C13H27NO — CID 155036828

IUPAC4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine
SMILESC=C(CC(C)C(C)C)NCCOCCC
InChIInChI=1S/C13H27NO/c1-6-8-15-9-7-14-13(5)10-12(4)11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyOKOKOVDQQXNJEQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.20
Rot. Bonds9

About 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine

4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine (PubChem CID 155036828) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine
PubChem CID155036828
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine
SMILESC=C(CC(C)C(C)C)NCCOCCC
InChIInChI=1S/C13H27NO/c1-6-8-15-9-7-14-13(5)10-12(4)11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyOKOKOVDQQXNJEQ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine (CID 155036828) is 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine is C=C(CC(C)C(C)C)NCCOCCC.
What is the InChIKey of 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine?
The InChIKey is OKOKOVDQQXNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-15-9-7-14-13(5)10-12(4)11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine?
4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine is sourced from PubChem (CID 155036828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).