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

C15H33N — CID 59084779

IUPAC3,5,5-trimethyl-N-[(2R)-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-/m1/s1
InChIKeyHSHSHBRTCZNPPA-ARLHGKGLSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds7

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

3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine (PubChem CID 59084779) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine
PubChem CID59084779
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3,5,5-trimethyl-N-[(2R)-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-/m1/s1
InChIKeyHSHSHBRTCZNPPA-ARLHGKGLSA-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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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine (CID 59084779) is 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-N-[(2R)-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-[(2R)-4-methylpentan-2-yl]hexan-1-amine?
The InChIKey is HSHSHBRTCZNPPA-ARLHGKGLSA-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-/m1/s1.
What are the key properties of 3,5,5-trimethyl-N-[(2R)-4-methylpentan-2-yl]hexan-1-amine?
3,5,5-trimethyl-N-[(2R)-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-[(2R)-4-methylpentan-2-yl]hexan-1-amine is sourced from PubChem (CID 59084779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).