N-tert-butyl-4,4-dimethylpentan-2-amine

C11H25N — CID 123997936

IUPACN-tert-butyl-4,4-dimethylpentan-2-amine
SMILESCC(CC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-9(8-10(2,3)4)12-11(5,6)7/h9,12H,8H2,1-7H3
InChIKeyMMPVGVBIAHKPDE-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds2

About N-tert-butyl-4,4-dimethylpentan-2-amine

N-tert-butyl-4,4-dimethylpentan-2-amine (PubChem CID 123997936) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylpentan-2-amine
PubChem CID123997936
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-tert-butyl-4,4-dimethylpentan-2-amine
SMILESCC(CC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-9(8-10(2,3)4)12-11(5,6)7/h9,12H,8H2,1-7H3
InChIKeyMMPVGVBIAHKPDE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-hydrazinylpropan-2-yl)-2-methylpropan-2-amine
CID 13183611
4-N-tert-butyl-2-N-methylpentane-2,4-diamine
CID 168728756
3-N-tert-butylbutane-1,3-diamine
CID 54416805
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
2-methyl-N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 72592893
4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine
CID 89116357
4,4-dimethyl-N-prop-1-en-2-ylpentan-2-amine
CID 129049369
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
CID 168977512
lithium 2,2,4-trimethylhexane
CID 19358976
(2R)-4,4-dimethylpentan-2-ol
CID 7014873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethylpentan-2-amine?
The IUPAC name of N-tert-butyl-4,4-dimethylpentan-2-amine (CID 123997936) is N-tert-butyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for N-tert-butyl-4,4-dimethylpentan-2-amine is CC(CC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethylpentan-2-amine?
The InChIKey is MMPVGVBIAHKPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-9(8-10(2,3)4)12-11(5,6)7/h9,12H,8H2,1-7H3.
What are the key properties of N-tert-butyl-4,4-dimethylpentan-2-amine?
N-tert-butyl-4,4-dimethylpentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 123997936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).