3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride

C7H16Cl2N2 — CID 155896224

IUPAC3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CNCC2CC12
InChIInChI=1S/C7H14N2.2ClH/c8-2-6-4-9-3-5-1-7(5)6;;/h5-7,9H,1-4,8H2;2*1H
InChIKeyTZRJALLGEJAMNM-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.64
Rot. Bonds1

About 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride

3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride (PubChem CID 155896224) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
PubChem CID155896224
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CNCC2CC12
InChIInChI=1S/C7H14N2.2ClH/c8-2-6-4-9-3-5-1-7(5)6;;/h5-7,9H,1-4,8H2;2*1H
InChIKeyTZRJALLGEJAMNM-UHFFFAOYSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopentylpyrrolidin-3-yl)methanamine
CID 82597822
[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
CID 15729391
[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine
CID 14612509
(4-cyclohexyl-6-methylpiperidin-3-yl)methanamine
CID 82612569
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503
[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 98119965
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
CID 130682149
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride (CID 155896224) is 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CNCC2CC12.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride?
The InChIKey is TZRJALLGEJAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-2-6-4-9-3-5-1-7(5)6;;/h5-7,9H,1-4,8H2;2*1H.
What are the key properties of 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride?
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride is sourced from PubChem (CID 155896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).