1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine

C11H23N3 — CID 115256999

IUPAC1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine
SMILESCN1CCC(CCNCC2(N)CC2)C1
InChIInChI=1S/C11H23N3/c1-14-7-3-10(8-14)2-6-13-9-11(12)4-5-11/h10,13H,2-9,12H2,1H3
InChIKeyPVJDJTYEDNCDOJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.41
Rot. Bonds5

About 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine

1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine (PubChem CID 115256999) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine
PubChem CID115256999
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine
SMILESCN1CCC(CCNCC2(N)CC2)C1
InChIInChI=1S/C11H23N3/c1-14-7-3-10(8-14)2-6-13-9-11(12)4-5-11/h10,13H,2-9,12H2,1H3
InChIKeyPVJDJTYEDNCDOJ-UHFFFAOYSA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243109
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979
3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
3,3-dimethyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220444
1-[2-(1-methylpyrrolidin-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183879
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115251067
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine (CID 115256999) is 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine is CN1CCC(CCNCC2(N)CC2)C1.
What is the InChIKey of 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is PVJDJTYEDNCDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-7-3-10(8-14)2-6-13-9-11(12)4-5-11/h10,13H,2-9,12H2,1H3.
What are the key properties of 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine?
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).