[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine

C7H18N3+ — CID 143020230

IUPAC[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine
SMILESNCC1C[NH2+]CC(CN)C1
InChIInChI=1S/C7H17N3/c8-2-6-1-7(3-9)5-10-4-6/h6-7,10H,1-5,8-9H2/p+1
InChIKeyPMLBNZMFDQTRHW-UHFFFAOYSA-O
MW144.24 g/mol
LogP-1.90
Rot. Bonds2

About [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine

[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine (PubChem CID 143020230) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine
PubChem CID143020230
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Name[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine
SMILESNCC1C[NH2+]CC(CN)C1
InChIInChI=1S/C7H17N3/c8-2-6-1-7(3-9)5-10-4-6/h6-7,10H,1-5,8-9H2/p+1
InChIKeyPMLBNZMFDQTRHW-UHFFFAOYSA-O
XLogP-1.90
TPSA68.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
CID 167732628
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
CID 98469517
(1-iodoazetidin-3-yl)methanamine
CID 122596028
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
(3-propylcyclopentyl)methanamine
CID 83635339

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine?
The IUPAC name of [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine (CID 143020230) is [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine is NCC1C[NH2+]CC(CN)C1.
What is the InChIKey of [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine?
The InChIKey is PMLBNZMFDQTRHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c8-2-6-1-7(3-9)5-10-4-6/h6-7,10H,1-5,8-9H2/p+1.
What are the key properties of [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine?
[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine has a molecular weight of 144.24 g/mol, XLogP of -1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)piperidin-1-ium-3-yl]methanamine is sourced from PubChem (CID 143020230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).