4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride

C13H28Cl2N2 — CID 154577414

IUPAC4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
SMILESCC1CCC(NCCN2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-4-6-13(7-5-12)14-8-11-15-9-2-3-10-15;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyXCRCXWOFOGTRIY-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride

4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride (PubChem CID 154577414) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
PubChem CID154577414
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
SMILESCC1CCC(NCCN2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-4-6-13(7-5-12)14-8-11-15-9-2-3-10-15;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyXCRCXWOFOGTRIY-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
CID 62556569
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 63167536
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
CID 63455790

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride (CID 154577414) is 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride is CC1CCC(NCCN2CCCC2)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride?
The InChIKey is XCRCXWOFOGTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2ClH/c1-12-4-6-13(7-5-12)14-8-11-15-9-2-3-10-15;;/h12-14H,2-11H2,1H3;2*1H.
What are the key properties of 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride?
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride has a molecular weight of 283.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 154577414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).