cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine

C7H16N2 — CID 13139782

IUPACcis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine
SMILESNC[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2/t6-,7+/m0/s1
InChIKeyZUYYQGFCSKJGDO-NKWVEPMBSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds1

About cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine

cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine (PubChem CID 13139782) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine
PubChem CID13139782
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine
SMILESNC[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2/t6-,7+/m0/s1
InChIKeyZUYYQGFCSKJGDO-NKWVEPMBSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine (CID 13139782) is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine is NC[C@@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine?
The InChIKey is ZUYYQGFCSKJGDO-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine?
cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 13139782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).