2,2-diethyl-3,3-dimethylpentan-1-amine

C11H25N — CID 166876877

IUPAC2,2-diethyl-3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)C(CC)(CC)CN
InChIInChI=1S/C11H25N/c1-6-10(4,5)11(7-2,8-3)9-12/h6-9,12H2,1-5H3
InChIKeyNYNPKMAKTYWITK-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds5

About 2,2-diethyl-3,3-dimethylpentan-1-amine

2,2-diethyl-3,3-dimethylpentan-1-amine (PubChem CID 166876877) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,2-diethyl-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3,3-dimethylpentan-1-amine
PubChem CID166876877
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,2-diethyl-3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)C(CC)(CC)CN
InChIInChI=1S/C11H25N/c1-6-10(4,5)11(7-2,8-3)9-12/h6-9,12H2,1-5H3
InChIKeyNYNPKMAKTYWITK-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3,3-dimethylpentane-2,2-diol
CID 87668093
2-aminobutan-2-ol;propane
CID 174346487
2-(aminomethyl)-2-tert-butylpropane-1,3-diamine
CID 166857268
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
butane-1,2,2-triamine
CID 19824437
3,3,4,4,5,5-hexamethylheptane
CID 22899431
2-methylbutan-2-amine;propane
CID 91035545
2-methylbutan-2-amine;hydrate
CID 173000674
1-aminobutane-2,2-diol
CID 158169246
1,1-dichloro-2,2-diethylbutan-1-amine
CID 140975964

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3,3-dimethylpentan-1-amine?
The IUPAC name of 2,2-diethyl-3,3-dimethylpentan-1-amine (CID 166876877) is 2,2-diethyl-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 2,2-diethyl-3,3-dimethylpentan-1-amine?
The canonical SMILES for 2,2-diethyl-3,3-dimethylpentan-1-amine is CCC(C)(C)C(CC)(CC)CN.
What is the InChIKey of 2,2-diethyl-3,3-dimethylpentan-1-amine?
The InChIKey is NYNPKMAKTYWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(4,5)11(7-2,8-3)9-12/h6-9,12H2,1-5H3.
What are the key properties of 2,2-diethyl-3,3-dimethylpentan-1-amine?
2,2-diethyl-3,3-dimethylpentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 166876877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).