2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

C14H28F3N — CID 126694971

IUPAC2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESCCCCC(C)(CN[C@@H](C)C(F)(F)F)C(C)CC
InChIInChI=1S/C14H28F3N/c1-6-8-9-13(5,11(3)7-2)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3/t11?,12-,13?/m0/s1
InChIKeyCRRRNTUYXPRWKQ-CPCZMJQVSA-N
MW267.38 g/mol
LogP4.77
Rot. Bonds8

About 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (PubChem CID 126694971) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
PubChem CID126694971
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESCCCCC(C)(CN[C@@H](C)C(F)(F)F)C(C)CC
InChIInChI=1S/C14H28F3N/c1-6-8-9-13(5,11(3)7-2)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3/t11?,12-,13?/m0/s1
InChIKeyCRRRNTUYXPRWKQ-CPCZMJQVSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine with MolForge

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Related Compounds

4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309
5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
CID 23123210
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29051448
N-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-amine
CID 58286892
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58344235
4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
CID 58818490
2-(Propan-2-yl)-6-(trifluoromethyl)piperidine
CID 64459245
3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine
CID 67330950

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The IUPAC name of 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (CID 126694971) is 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.
What is the SMILES notation for 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The canonical SMILES for 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is CCCCC(C)(CN[C@@H](C)C(F)(F)F)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The InChIKey is CRRRNTUYXPRWKQ-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H28F3N/c1-6-8-9-13(5,11(3)7-2)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3/t11?,12-,13?/m0/s1.
What are the key properties of 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is sourced from PubChem (CID 126694971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).