(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine

C13H28N2 — CID 93258445

IUPAC(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
SMILESCCCCCN[C@H]1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C13H28N2/c1-5-6-7-8-14-13-9-12(3)15(4)10-11(13)2/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyYUXAOOKQNMXUKB-XQQFMLRXSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine

(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine (PubChem CID 93258445) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
PubChem CID93258445
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
SMILESCCCCCN[C@H]1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C13H28N2/c1-5-6-7-8-14-13-9-12(3)15(4)10-11(13)2/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyYUXAOOKQNMXUKB-XQQFMLRXSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 43665481
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256
1,2,5-trimethyl-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43665520
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
1,2,5-trimethyl-N-octan-4-ylpiperidin-4-amine
CID 113262513
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
2-[(1,2,5-trimethylpiperidin-4-yl)amino]acetamide
CID 43665297
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine?
The IUPAC name of (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine (CID 93258445) is (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine.
What is the SMILES notation for (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine?
The canonical SMILES for (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine is CCCCCN[C@H]1C[C@@H](C)N(C)C[C@@H]1C.
What is the InChIKey of (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine?
The InChIKey is YUXAOOKQNMXUKB-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-8-14-13-9-12(3)15(4)10-11(13)2/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m0/s1.
What are the key properties of (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine?
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine is sourced from PubChem (CID 93258445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).