1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine

C12H26N4 — CID 63166067

IUPAC1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C12H26N4/c1-14(2)11-4-6-16(8-11)12(9-13)5-7-15(3)10-12/h11H,4-10,13H2,1-3H3
InChIKeyLTCIRAKIKACADX-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.34
Rot. Bonds3

About 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine

1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166067) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166067
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C12H26N4/c1-14(2)11-4-6-16(8-11)12(9-13)5-7-15(3)10-12/h11H,4-10,13H2,1-3H3
InChIKeyLTCIRAKIKACADX-UHFFFAOYSA-N
XLogP-0.34
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(3-methylpyrrolidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62976743
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 63622763
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 62976375
1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 43608746
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 82235994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63166067) is 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine is CN1CCC(CN)(N2CCC(N(C)C)C2)C1.
What is the InChIKey of 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LTCIRAKIKACADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14(2)11-4-6-16(8-11)12(9-13)5-7-15(3)10-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 226.37 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).