3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine

C11H22N2 — CID 98524973

IUPAC3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
SMILESNCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CN
InChIInChI=1S/C11H22N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h8-11H,1-7,12-13H2/t8-,9-,10-,11+/m0/s1
InChIKeyHLIUIUHXGUVOJT-XWLWVQCSSA-N
MW182.31 g/mol
LogP1.35
Rot. Bonds4

About 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine

3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine (PubChem CID 98524973) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
PubChem CID98524973
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
SMILESNCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CN
InChIInChI=1S/C11H22N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h8-11H,1-7,12-13H2/t8-,9-,10-,11+/m0/s1
InChIKeyHLIUIUHXGUVOJT-XWLWVQCSSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine with MolForge

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Related Compounds

[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
CID 139034685
3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine
CID 84648563
[(1R,2R,3R,4S)-3-(4-chlorophenyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10564081
3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
CID 24843980
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 139364896
8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115016482
3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
CID 54031632

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine?
The IUPAC name of 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine (CID 98524973) is 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine.
What is the SMILES notation for 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine?
The canonical SMILES for 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine is NCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CN.
What is the InChIKey of 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine?
The InChIKey is HLIUIUHXGUVOJT-XWLWVQCSSA-N. The full InChI is InChI=1S/C11H22N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h8-11H,1-7,12-13H2/t8-,9-,10-,11+/m0/s1.
What are the key properties of 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine?
3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine is sourced from PubChem (CID 98524973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).