2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine

C13H27N — CID 134365141

IUPAC2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine
SMILESC=C(C)C(CC(C)C)CC(N)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)7-12(10(3)4)8-13(14)11(5)6/h9,11-13H,3,7-8,14H2,1-2,4-6H3
InChIKeyJQHRUUUQROQWSQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.60
Rot. Bonds6

About 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine

2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine (PubChem CID 134365141) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine.

Molecular Properties

Compound Name2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine
PubChem CID134365141
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine
SMILESC=C(C)C(CC(C)C)CC(N)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)7-12(10(3)4)8-13(14)11(5)6/h9,11-13H,3,7-8,14H2,1-2,4-6H3
InChIKeyJQHRUUUQROQWSQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine?
The IUPAC name of 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine (CID 134365141) is 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine.
What is the SMILES notation for 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine?
The canonical SMILES for 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine is C=C(C)C(CC(C)C)CC(N)C(C)C.
What is the InChIKey of 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine?
The InChIKey is JQHRUUUQROQWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)7-12(10(3)4)8-13(14)11(5)6/h9,11-13H,3,7-8,14H2,1-2,4-6H3.
What are the key properties of 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine?
2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-prop-1-en-2-yloctan-3-amine is sourced from PubChem (CID 134365141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).