N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine

C13H29N — CID 84669079

IUPACN-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
SMILESCC(C)(C)NC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h10,14H,1-9H3
InChIKeyXMTCSEFTINODEM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds1

About N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine

N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine (PubChem CID 84669079) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
PubChem CID84669079
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
SMILESCC(C)(C)NC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h10,14H,1-9H3
InChIKeyXMTCSEFTINODEM-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
1-(tert-butylamino)-2,2,2-trichloroethanol
CID 15321157
1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626128
(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
CID 166809211
1-(tert-butylamino)-2-chloropropan-1-ol
CID 88799444
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
2-(tert-butylamino)-2-chloroacetic acid
CID 142800381
1-(tert-butylamino)-2-(methylamino)ethanol
CID 166823664
2-(tert-butylamino)-3-methylbutanenitrile
CID 13492427
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
chloromethane;chromium
CID 88680076

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine?
The IUPAC name of N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine (CID 84669079) is N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine.
What is the SMILES notation for N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine?
The canonical SMILES for N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine is CC(C)(C)NC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine?
The InChIKey is XMTCSEFTINODEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h10,14H,1-9H3.
What are the key properties of N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine?
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine is sourced from PubChem (CID 84669079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).