(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine

C13H29N — CID 163855616

IUPAC(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
SMILESCC[C@@H](NC(C)(C)C)C(C)(C)C(C)C
InChIInChI=1S/C13H29N/c1-9-11(14-12(4,5)6)13(7,8)10(2)3/h10-11,14H,9H2,1-8H3/t11-/m1/s1
InChIKeyOYACCRNLEOBVAC-LLVKDONJSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds4

About (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine

(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine (PubChem CID 163855616) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
PubChem CID163855616
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
SMILESCC[C@@H](NC(C)(C)C)C(C)(C)C(C)C
InChIInChI=1S/C13H29N/c1-9-11(14-12(4,5)6)13(7,8)10(2)3/h10-11,14H,9H2,1-8H3/t11-/m1/s1
InChIKeyOYACCRNLEOBVAC-LLVKDONJSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
CID 166809211
1-N'-tert-butyl-1-N-methylpropane-1,1-diamine
CID 154626292
1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
CID 154626296
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
3-ethyl-4,4,5-trimethylhex-1-ene
CID 22107331
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
N-tert-butylpent-1-yn-3-amine
CID 130264656
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
1-N-tert-butyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
CID 154626209

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine?
The IUPAC name of (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine (CID 163855616) is (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine is CC[C@@H](NC(C)(C)C)C(C)(C)C(C)C.
What is the InChIKey of (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine?
The InChIKey is OYACCRNLEOBVAC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H29N/c1-9-11(14-12(4,5)6)13(7,8)10(2)3/h10-11,14H,9H2,1-8H3/t11-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine?
(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine is sourced from PubChem (CID 163855616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).