5-methyl-N-(2-methylpropyl)hept-1-en-2-amine

C12H25N — CID 139430530

IUPAC5-methyl-N-(2-methylpropyl)hept-1-en-2-amine
SMILESC=C(CCC(C)CC)NCC(C)C
InChIInChI=1S/C12H25N/c1-6-11(4)7-8-12(5)13-9-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyACDWSCBGHRVKKS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.57
Rot. Bonds7

About 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine

5-methyl-N-(2-methylpropyl)hept-1-en-2-amine (PubChem CID 139430530) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)hept-1-en-2-amine
PubChem CID139430530
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5-methyl-N-(2-methylpropyl)hept-1-en-2-amine
SMILESC=C(CCC(C)CC)NCC(C)C
InChIInChI=1S/C12H25N/c1-6-11(4)7-8-12(5)13-9-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyACDWSCBGHRVKKS-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine?
The IUPAC name of 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine (CID 139430530) is 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine is C=C(CCC(C)CC)NCC(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine?
The InChIKey is ACDWSCBGHRVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11(4)7-8-12(5)13-9-10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine?
5-methyl-N-(2-methylpropyl)hept-1-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)hept-1-en-2-amine is sourced from PubChem (CID 139430530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).