2-methyl-5-methylidene-N-propylheptan-1-amine

C12H25N — CID 66038086

IUPAC2-methyl-5-methylidene-N-propylheptan-1-amine
SMILESC=C(CC)CCC(C)CNCCC
InChIInChI=1S/C12H25N/c1-5-9-13-10-12(4)8-7-11(3)6-2/h12-13H,3,5-10H2,1-2,4H3
InChIKeyFIDPNFOPYNSZAJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds8

About 2-methyl-5-methylidene-N-propylheptan-1-amine

2-methyl-5-methylidene-N-propylheptan-1-amine (PubChem CID 66038086) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-5-methylidene-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-methyl-5-methylidene-N-propylheptan-1-amine
PubChem CID66038086
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-5-methylidene-N-propylheptan-1-amine
SMILESC=C(CC)CCC(C)CNCCC
InChIInChI=1S/C12H25N/c1-5-9-13-10-12(4)8-7-11(3)6-2/h12-13H,3,5-10H2,1-2,4H3
InChIKeyFIDPNFOPYNSZAJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-N-propylheptan-1-amine?
The IUPAC name of 2-methyl-5-methylidene-N-propylheptan-1-amine (CID 66038086) is 2-methyl-5-methylidene-N-propylheptan-1-amine.
What is the SMILES notation for 2-methyl-5-methylidene-N-propylheptan-1-amine?
The canonical SMILES for 2-methyl-5-methylidene-N-propylheptan-1-amine is C=C(CC)CCC(C)CNCCC.
What is the InChIKey of 2-methyl-5-methylidene-N-propylheptan-1-amine?
The InChIKey is FIDPNFOPYNSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-13-10-12(4)8-7-11(3)6-2/h12-13H,3,5-10H2,1-2,4H3.
What are the key properties of 2-methyl-5-methylidene-N-propylheptan-1-amine?
2-methyl-5-methylidene-N-propylheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-N-propylheptan-1-amine is sourced from PubChem (CID 66038086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).