N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine

C12H26N2 — CID 106318615

IUPACN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3
InChIKeyVALNCWGNVNEITF-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318615) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
PubChem CID106318615
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3
InChIKeyVALNCWGNVNEITF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
beta,beta-Dimethyl-1-pyrrolidinepropanamine
CID 45088486
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
2-Methyl-3-(pyrrolidin-1-yl)propan-1-amine
CID 17609129
[1-(2-Methylpropyl)pyrrolidin-3-yl]methanamine
CID 17998746
((1-Ethylpyrrolidin-3-yl)methyl)(methyl)amine
CID 17998752
1-(1,3-Dimethyl-3-pyrrolidinyl)methanamine
CID 18712661
(1-Propylpyrrolidin-3-yl)methanamine
CID 24275254
(R)-N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 26368555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine (CID 106318615) is N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCC(C)C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is VALNCWGNVNEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).