N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine

C12H20N4 — CID 66140196

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C12H20N4/c1-15-5-4-10(8-15)14-7-12-6-13-9-16(12)11-2-3-11/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyDPNNTYJCABPYQM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.01
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 66140196) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID66140196
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C12H20N4/c1-15-5-4-10(8-15)14-7-12-6-13-9-16(12)11-2-3-11/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyDPNNTYJCABPYQM-UHFFFAOYSA-N
XLogP1.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine (CID 66140196) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCc2cncn2C2CC2)C1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is DPNNTYJCABPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-5-4-10(8-15)14-7-12-6-13-9-16(12)11-2-3-11/h6,9-11,14H,2-5,7-8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 66140196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).