3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine

C11H25N — CID 123979572

IUPAC3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCCC(C(C)C)C(C)NC(C)C
InChIInChI=1S/C11H25N/c1-7-11(8(2)3)10(6)12-9(4)5/h8-12H,7H2,1-6H3
InChIKeyWUOPJRSUQKGWMC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds5

About 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine

3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 123979572) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID123979572
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCCC(C(C)C)C(C)NC(C)C
InChIInChI=1S/C11H25N/c1-7-11(8(2)3)10(6)12-9(4)5/h8-12H,7H2,1-6H3
InChIKeyWUOPJRSUQKGWMC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

propane;N-propan-2-ylpentan-3-amine
CID 144761250
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
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3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
1-(propan-2-ylamino)propan-1-ol
CID 20572331
CID 87569665
CID 87569665
3,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 107886809
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
(3R)-3-(propan-2-ylamino)butan-2-ol
CID 168776217

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine (CID 123979572) is 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine is CCC(C(C)C)C(C)NC(C)C.
What is the InChIKey of 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is WUOPJRSUQKGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-11(8(2)3)10(6)12-9(4)5/h8-12H,7H2,1-6H3.
What are the key properties of 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine?
3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 123979572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).