[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine

C8H18N2 — CID 6951508

IUPAC[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine
SMILESNC[C@@H]1CCC[C@H](CN)C1
InChIInChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2/t7-,8+
InChIKeyQLBRROYTTDFLDX-OCAPTIKFSA-N
MW142.25 g/mol
LogP0.71
Rot. Bonds2

About [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine

[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine (PubChem CID 6951508) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine
PubChem CID6951508
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine
SMILESNC[C@@H]1CCC[C@H](CN)C1
InChIInChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2/t7-,8+
InChIKeyQLBRROYTTDFLDX-OCAPTIKFSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine?
The IUPAC name of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine (CID 6951508) is [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine?
The canonical SMILES for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine is NC[C@@H]1CCC[C@H](CN)C1.
What is the InChIKey of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine?
The InChIKey is QLBRROYTTDFLDX-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2/t7-,8+.
What are the key properties of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine?
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine has a molecular weight of 142.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 6951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).