N-methyl-3-propan-2-ylnon-5-en-1-amine

C13H27N — CID 123236272

IUPACN-methyl-3-propan-2-ylnon-5-en-1-amine
SMILESCCCC=CCC(CCNC)C(C)C
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-13(12(2)3)10-11-14-4/h7-8,12-14H,5-6,9-11H2,1-4H3
InChIKeyXAGMMYFYIBPWFY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.61
Rot. Bonds8

About N-methyl-3-propan-2-ylnon-5-en-1-amine

N-methyl-3-propan-2-ylnon-5-en-1-amine (PubChem CID 123236272) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-3-propan-2-ylnon-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-ylnon-5-en-1-amine
PubChem CID123236272
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-3-propan-2-ylnon-5-en-1-amine
SMILESCCCC=CCC(CCNC)C(C)C
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-13(12(2)3)10-11-14-4/h7-8,12-14H,5-6,9-11H2,1-4H3
InChIKeyXAGMMYFYIBPWFY-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.61
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 N-methyl-3-propan-2-ylnon-5-en-1-amine?
The IUPAC name of N-methyl-3-propan-2-ylnon-5-en-1-amine (CID 123236272) is N-methyl-3-propan-2-ylnon-5-en-1-amine.
What is the SMILES notation for N-methyl-3-propan-2-ylnon-5-en-1-amine?
The canonical SMILES for N-methyl-3-propan-2-ylnon-5-en-1-amine is CCCC=CCC(CCNC)C(C)C.
What is the InChIKey of N-methyl-3-propan-2-ylnon-5-en-1-amine?
The InChIKey is XAGMMYFYIBPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-7-8-9-13(12(2)3)10-11-14-4/h7-8,12-14H,5-6,9-11H2,1-4H3.
What are the key properties of N-methyl-3-propan-2-ylnon-5-en-1-amine?
N-methyl-3-propan-2-ylnon-5-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-ylnon-5-en-1-amine is sourced from PubChem (CID 123236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).