N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen

C11H27N — CID 145404528

IUPACN-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
SMILESCCC(C)(C)CNCC(C)(C)C.[H][H]
InChIInChI=1S/C11H25N.H2/c1-7-11(5,6)9-12-8-10(2,3)4;/h12H,7-9H2,1-6H3;1H
InChIKeyROAAYOUVZGHBQJ-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.30
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen

N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen (PubChem CID 145404528) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
PubChem CID145404528
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
SMILESCCC(C)(C)CNCC(C)(C)C.[H][H]
InChIInChI=1S/C11H25N.H2/c1-7-11(5,6)9-12-8-10(2,3)4;/h12H,7-9H2,1-6H3;1H
InChIKeyROAAYOUVZGHBQJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diisoamylamine
CID 10988
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
Bis(2,2-dimethylpropyl)amine
CID 3760175
(3,3-Dimethylbutyl)(methyl)amine hydrochloride
CID 25049771
Ethyl(2,4,4-trimethylpentan-2-yl)amine
CID 10630769
Propylneopentylamine
CID 551573
1-Butanamine, 3-methyl, N-(2-methylpropyl)
CID 527115
N-(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
CID 20448447
(S)-(2-methylbutyl)propylamine
CID 28608572
(r)-N-(2-methylbutyl)-2-methyl-1-butanamine
CID 129659828
N,3,3-trimethylbutan-1-amine
CID 18738714
3,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 60690482

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen?
The IUPAC name of N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen (CID 145404528) is N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen is CCC(C)(C)CNCC(C)(C)C.[H][H].
What is the InChIKey of N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen?
The InChIKey is ROAAYOUVZGHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.H2/c1-7-11(5,6)9-12-8-10(2,3)4;/h12H,7-9H2,1-6H3;1H.
What are the key properties of N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen?
N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen has a molecular weight of 173.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen is sourced from PubChem (CID 145404528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).