3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine

C11H25N3 — CID 81467597

IUPAC3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine
SMILESCCC(C)NC1(CN)CC(C)N(C)C1
InChIInChI=1S/C11H25N3/c1-5-9(2)13-11(7-12)6-10(3)14(4)8-11/h9-10,13H,5-8,12H2,1-4H3
InChIKeyMBECEXORWSOCPL-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.80
Rot. Bonds4

About 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467597) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467597
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine
SMILESCCC(C)NC1(CN)CC(C)N(C)C1
InChIInChI=1S/C11H25N3/c1-5-9(2)13-11(7-12)6-10(3)14(4)8-11/h9-10,13H,5-8,12H2,1-4H3
InChIKeyMBECEXORWSOCPL-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine (CID 81467597) is 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine is CCC(C)NC1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is MBECEXORWSOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-9(2)13-11(7-12)6-10(3)14(4)8-11/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 199.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).