N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride

C14H29ClN2 — CID 120898335

IUPACN,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCC1CCCC(N(C)CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-12-5-4-6-13(9-12)16(3)11-14(2)7-8-15-10-14;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyUUXGGOWLDKXNBI-UHFFFAOYSA-N
MW260.85 g/mol
LogP2.92
Rot. Bonds3

About N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride

N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 120898335) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
PubChem CID120898335
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC NameN,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCC1CCCC(N(C)CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-12-5-4-6-13(9-12)16(3)11-14(2)7-8-15-10-14;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyUUXGGOWLDKXNBI-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride (CID 120898335) is N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride is CC1CCCC(N(C)CC2(C)CCNC2)C1.Cl.
What is the InChIKey of N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is UUXGGOWLDKXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-12-5-4-6-13(9-12)16(3)11-14(2)7-8-15-10-14;/h12-13,15H,4-11H2,1-3H3;1H.
What are the key properties of N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 120898335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).