2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine

C13H27N — CID 137428863

IUPAC2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine
SMILESC=C(CC)C(C)(CCC)CNC(C)C
InChIInChI=1S/C13H27N/c1-7-9-13(6,12(5)8-2)10-14-11(3)4/h11,14H,5,7-10H2,1-4,6H3
InChIKeyBYPYVSHRZMMTIE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds7

About 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine

2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine (PubChem CID 137428863) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine
PubChem CID137428863
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine
SMILESC=C(CC)C(C)(CCC)CNC(C)C
InChIInChI=1S/C13H27N/c1-7-9-13(6,12(5)8-2)10-14-11(3)4/h11,14H,5,7-10H2,1-4,6H3
InChIKeyBYPYVSHRZMMTIE-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine?
The IUPAC name of 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine (CID 137428863) is 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine?
The canonical SMILES for 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine is C=C(CC)C(C)(CCC)CNC(C)C.
What is the InChIKey of 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine?
The InChIKey is BYPYVSHRZMMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-9-13(6,12(5)8-2)10-14-11(3)4/h11,14H,5,7-10H2,1-4,6H3.
What are the key properties of 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine?
2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-N-propan-2-yl-2-propylpentan-1-amine is sourced from PubChem (CID 137428863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).