N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

C11H25N3 — CID 60890113

IUPACN'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN
InChIInChI=1S/C11H25N3/c1-9-8-14(3)10(2)7-11(9)13-6-4-5-12/h9-11,13H,4-8,12H2,1-3H3
InChIKeyFKMFFKXQZNZOLX-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.65
Rot. Bonds4

About N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 60890113) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID60890113
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN
InChIInChI=1S/C11H25N3/c1-9-8-14(3)10(2)7-11(9)13-6-4-5-12/h9-11,13H,4-8,12H2,1-3H3
InChIKeyFKMFFKXQZNZOLX-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
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
1,2,5-trimethyl-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43665520
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
N'-(2-methylcyclopropyl)heptane-1,7-diamine
CID 62409211
2-[(1,2,5-trimethylpiperidin-4-yl)amino]acetamide
CID 43665297
(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 93258463
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (CID 60890113) is N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is CC1CN(C)C(C)CC1NCCCN.
What is the InChIKey of N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is FKMFFKXQZNZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9-8-14(3)10(2)7-11(9)13-6-4-5-12/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 60890113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).