N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride

C12H20Cl2N2 — CID 76854141

IUPACN-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1cncc(NCC2CCCCC2)c1
InChIInChI=1S/C12H18N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h4,7-8,10-11,14H,1-3,5-6,9H2;2*1H
InChIKeyYXFPEIJCSJOXHB-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.92
Rot. Bonds3

About N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride

N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride (PubChem CID 76854141) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
PubChem CID76854141
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC NameN-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1cncc(NCC2CCCCC2)c1
InChIInChI=1S/C12H18N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h4,7-8,10-11,14H,1-3,5-6,9H2;2*1H
InChIKeyYXFPEIJCSJOXHB-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride?
The IUPAC name of N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride (CID 76854141) is N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride is Cl.Cl.c1cncc(NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride?
The InChIKey is YXFPEIJCSJOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h4,7-8,10-11,14H,1-3,5-6,9H2;2*1H.
What are the key properties of N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride?
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride has a molecular weight of 263.21 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 76854141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).