3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine

C12H24N2 — CID 102551343

IUPAC3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCN1CCCC1CNCCCC1CC1
InChIInChI=1S/C12H24N2/c1-14-9-3-5-12(14)10-13-8-2-4-11-6-7-11/h11-13H,2-10H2,1H3
InChIKeyCQNKLZSJBKOKLD-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds6

About 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine

3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine (PubChem CID 102551343) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
PubChem CID102551343
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCN1CCCC1CNCCCC1CC1
InChIInChI=1S/C12H24N2/c1-14-9-3-5-12(14)10-13-8-2-4-11-6-7-11/h11-13H,2-10H2,1H3
InChIKeyCQNKLZSJBKOKLD-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106025650
3-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106120803
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine (CID 102551343) is 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine is CN1CCCC1CNCCCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The InChIKey is CQNKLZSJBKOKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-14-9-3-5-12(14)10-13-8-2-4-11-6-7-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102551343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).