6-methyl-N-propylhept-1-en-2-amine

C11H23N — CID 138739621

IUPAC6-methyl-N-propylhept-1-en-2-amine
SMILESC=C(CCCC(C)C)NCCC
InChIInChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyQIJPCILATLNWFN-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.33
Rot. Bonds7

About 6-methyl-N-propylhept-1-en-2-amine

6-methyl-N-propylhept-1-en-2-amine (PubChem CID 138739621) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 6-methyl-N-propylhept-1-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-propylhept-1-en-2-amine
PubChem CID138739621
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name6-methyl-N-propylhept-1-en-2-amine
SMILESC=C(CCCC(C)C)NCCC
InChIInChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyQIJPCILATLNWFN-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylhept-1-en-2-amine?
The IUPAC name of 6-methyl-N-propylhept-1-en-2-amine (CID 138739621) is 6-methyl-N-propylhept-1-en-2-amine.
What is the SMILES notation for 6-methyl-N-propylhept-1-en-2-amine?
The canonical SMILES for 6-methyl-N-propylhept-1-en-2-amine is C=C(CCCC(C)C)NCCC.
What is the InChIKey of 6-methyl-N-propylhept-1-en-2-amine?
The InChIKey is QIJPCILATLNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-methyl-N-propylhept-1-en-2-amine?
6-methyl-N-propylhept-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylhept-1-en-2-amine is sourced from PubChem (CID 138739621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).