trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride

C7H18Cl2N2 — CID 163198683

IUPACtrans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC[C@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2.2ClH/c8-5-6-3-1-2-4-7(6)9;;/h6-7H,1-5,8-9H2;2*1H/t6-,7-;;/m1../s1
InChIKeyJMZYSMFVIDNXBL-GPJOBVNKSA-N
MW201.14 g/mol
LogP1.31
Rot. Bonds1

About trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride

trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride (PubChem CID 163198683) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
PubChem CID163198683
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Nametrans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC[C@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2.2ClH/c8-5-6-3-1-2-4-7(6)9;;/h6-7H,1-5,8-9H2;2*1H/t6-,7-;;/m1../s1
InChIKeyJMZYSMFVIDNXBL-GPJOBVNKSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride?
The IUPAC name of trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride (CID 163198683) is trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride is Cl.Cl.NC[C@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride?
The InChIKey is JMZYSMFVIDNXBL-GPJOBVNKSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c8-5-6-3-1-2-4-7(6)9;;/h6-7H,1-5,8-9H2;2*1H/t6-,7-;;/m1../s1.
What are the key properties of trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride?
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 163198683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).