3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine

C10H21N — CID 126763753

IUPAC3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine
SMILESCC(C)=CNC(C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-8(2)7-11-9(3)10(4,5)6/h7,9,11H,1-6H3
InChIKeyMIJGMTCZLUWAIS-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.93
Rot. Bonds2

About 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine

3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine (PubChem CID 126763753) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine
PubChem CID126763753
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine
SMILESCC(C)=CNC(C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-8(2)7-11-9(3)10(4,5)6/h7,9,11H,1-6H3
InChIKeyMIJGMTCZLUWAIS-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
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CID 174104009
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1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine (CID 126763753) is 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine is CC(C)=CNC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine?
The InChIKey is MIJGMTCZLUWAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)7-11-9(3)10(4,5)6/h7,9,11H,1-6H3.
What are the key properties of 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine?
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-amine is sourced from PubChem (CID 126763753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).