2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine

C12H25N — CID 13416721

IUPAC2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)=CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H25N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h7,11-12H,8-9H2,1-6H3
InChIKeyVNPLFTXNVIADTR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine

2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 13416721) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
PubChem CID13416721
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)=CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H25N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h7,11-12H,8-9H2,1-6H3
InChIKeyVNPLFTXNVIADTR-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine (CID 13416721) is 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine is CC(C)=CN(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is VNPLFTXNVIADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h7,11-12H,8-9H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine?
2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 13416721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).