N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride

C10H24Cl2N2 — CID 155943829

IUPACN-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride
SMILESCCC(C)CN(C)C1CCNC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-4-9(2)8-12(3)10-5-6-11-7-10;;/h9-11H,4-8H2,1-3H3;2*1H
InChIKeyUIKSCIBLWRBXID-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride

N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 155943829) has the molecular formula C10H24Cl2N2 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID155943829
Molecular FormulaC10H24Cl2N2
Molecular Weight243.22 g/mol
Exact Mass242.13
IUPAC NameN-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride
SMILESCCC(C)CN(C)C1CCNC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-4-9(2)8-12(3)10-5-6-11-7-10;;/h9-11H,4-8H2,1-3H3;2*1H
InChIKeyUIKSCIBLWRBXID-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride (CID 155943829) is N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride is CCC(C)CN(C)C1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is UIKSCIBLWRBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2ClH/c1-4-9(2)8-12(3)10-5-6-11-7-10;;/h9-11H,4-8H2,1-3H3;2*1H.
What are the key properties of N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride?
N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 243.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 155943829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).