N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride

C20H40Cl2N2 — CID 3064281

IUPACN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride
SMILESC1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C20H38N2.2ClH/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21;;/h19-20H,1-18H2;2*1H
InChIKeyOFBWOOBBPULQQP-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.53
Rot. Bonds6

About N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride

N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride (PubChem CID 3064281) has the molecular formula C20H40Cl2N2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride
PubChem CID3064281
Molecular FormulaC20H40Cl2N2
Molecular Weight379.46 g/mol
Exact Mass378.26
IUPAC NameN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride
SMILESC1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C20H38N2.2ClH/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21;;/h19-20H,1-18H2;2*1H
InChIKeyOFBWOOBBPULQQP-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride (CID 3064281) is N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride is C1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride?
The InChIKey is OFBWOOBBPULQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2.2ClH/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21;;/h19-20H,1-18H2;2*1H.
What are the key properties of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride?
N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride has a molecular weight of 379.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine;dihydrochloride is sourced from PubChem (CID 3064281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).