N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine

C11H23N3 — CID 115208872

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCN1CCC(CNCC2CCNC2)C1
InChIInChI=1S/C11H23N3/c1-14-5-3-11(9-14)8-13-7-10-2-4-12-6-10/h10-13H,2-9H2,1H3
InChIKeyHHWVUIZCMSDEIA-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.14
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208872) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208872
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCN1CCC(CNCC2CCNC2)C1
InChIInChI=1S/C11H23N3/c1-14-5-3-11(9-14)8-13-7-10-2-4-12-6-10/h10-13H,2-9H2,1H3
InChIKeyHHWVUIZCMSDEIA-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 121359030
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
2-methyl-2-(1-methylpyrrolidin-3-yl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209785
1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208872) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine is CN1CCC(CNCC2CCNC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is HHWVUIZCMSDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-5-3-11(9-14)8-13-7-10-2-4-12-6-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 197.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).