3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine

C15H33N — CID 59084965

IUPAC3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
SMILESCC(C)C[C@H](C)NCCC(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)10-14(4)16-9-8-13(3)11-15(5,6)7/h12-14,16H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyHSHSHBRTCZNPPA-KZUDCZAMSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds7

About 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine

3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine (PubChem CID 59084965) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
PubChem CID59084965
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
SMILESCC(C)C[C@H](C)NCCC(C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)10-14(4)16-9-8-13(3)11-15(5,6)7/h12-14,16H,8-11H2,1-7H3/t13?,14-/m0/s1
InChIKeyHSHSHBRTCZNPPA-KZUDCZAMSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-3,5,5-trimethylhexan-1-amine
CID 61023088
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 170245649
4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
CID 115721181
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441
2,2,4,8,10,10-hexamethylundecane
CID 54023173
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
N-(3,5,5-trimethylhexyl)thietan-3-amine
CID 135393051
(4R)-2,2,4,8-tetramethylnonane
CID 140612986
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
N-(3,5,5-trimethylhexyl)cyclopentanamine
CID 60984290

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine (CID 59084965) is 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine is CC(C)C[C@H](C)NCCC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine?
The InChIKey is HSHSHBRTCZNPPA-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H33N/c1-12(2)10-14(4)16-9-8-13(3)11-15(5,6)7/h12-14,16H,8-11H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine?
3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine is sourced from PubChem (CID 59084965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).