N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride

C7H18Cl2N2 — CID 23145859

IUPACN,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCN(C)CC1CCNC1.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-9(2)6-7-3-4-8-5-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeySCPPZSOWKKSVLO-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.00
Rot. Bonds2

About N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride (PubChem CID 23145859) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
PubChem CID23145859
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC NameN,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCN(C)CC1CCNC1.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-9(2)6-7-3-4-8-5-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeySCPPZSOWKKSVLO-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23153381
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1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
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CID 143248520
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
2-methoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 62371781
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
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CID 120847679
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride (CID 23145859) is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride is CN(C)CC1CCNC1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The InChIKey is SCPPZSOWKKSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c1-9(2)6-7-3-4-8-5-7;;/h7-8H,3-6H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 23145859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).