3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine

C13H25N5 — CID 81467993

IUPAC3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)Cc2nccn2C)CN1C
InChIInChI=1S/C13H25N5/c1-11-7-13(9-14,10-17(11)3)18(4)8-12-15-5-6-16(12)2/h5-6,11H,7-10,14H2,1-4H3
InChIKeyWDBDEBBZLYPGRR-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.27
Rot. Bonds4

About 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine

3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 81467993) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID81467993
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)Cc2nccn2C)CN1C
InChIInChI=1S/C13H25N5/c1-11-7-13(9-14,10-17(11)3)18(4)8-12-15-5-6-16(12)2/h5-6,11H,7-10,14H2,1-4H3
InChIKeyWDBDEBBZLYPGRR-UHFFFAOYSA-N
XLogP0.27
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 65074993
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219
3-(aminomethyl)-N,1,5-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 81468284
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63923451
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63014975
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 81468808
1-(aminomethyl)-2-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 106872482

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 81467993) is 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is CC1CC(CN)(N(C)Cc2nccn2C)CN1C.
What is the InChIKey of 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WDBDEBBZLYPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11-7-13(9-14,10-17(11)3)18(4)8-12-15-5-6-16(12)2/h5-6,11H,7-10,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81467993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).