[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C18H36N4 — CID 161192187

IUPAC[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1CC2CC(CN)C1C2.NCC1CC2CC(CN)C1C2
InChIInChI=1S/2C9H18N2/c2*10-4-7-1-6-2-8(5-11)9(7)3-6/h2*6-9H,1-5,10-11H2
InChIKeyUTWDWLKJSSOKDG-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.13
Rot. Bonds4

About [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 161192187) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID161192187
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1CC2CC(CN)C1C2.NCC1CC2CC(CN)C1C2
InChIInChI=1S/2C9H18N2/c2*10-4-7-1-6-2-8(5-11)9(7)3-6/h2*6-9H,1-5,10-11H2
InChIKeyUTWDWLKJSSOKDG-UHFFFAOYSA-N
XLogP1.13
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 59926141
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
[(1R,2R)-2-bromocyclopropyl]methanamine
CID 178200198
2-aminoacetic acid;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174758101
[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
(1S,2S,4S,6R)-6-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792026
ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
CID 145337614
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 161192187) is [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1CC2CC(CN)C1C2.NCC1CC2CC(CN)C1C2.
What is the InChIKey of [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is UTWDWLKJSSOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2/c2*10-4-7-1-6-2-8(5-11)9(7)3-6/h2*6-9H,1-5,10-11H2.
What are the key properties of [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 308.51 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 161192187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).