1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine

C14H19IN2 — CID 65477786

IUPAC1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
SMILESIc1ccc(CNC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C14H19IN2/c15-12-3-1-11(2-4-12)9-16-13-7-8-17(10-13)14-5-6-14/h1-4,13-14,16H,5-10H2
InChIKeyZLOSWXFAMYRIRV-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.62
Rot. Bonds4

About 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine

1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine (PubChem CID 65477786) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
PubChem CID65477786
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC Name1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
SMILESIc1ccc(CNC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C14H19IN2/c15-12-3-1-11(2-4-12)9-16-13-7-8-17(10-13)14-5-6-14/h1-4,13-14,16H,5-10H2
InChIKeyZLOSWXFAMYRIRV-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 154793256
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine
CID 62758722
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 79710549

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine (CID 65477786) is 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine is Ic1ccc(CNC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is ZLOSWXFAMYRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c15-12-3-1-11(2-4-12)9-16-13-7-8-17(10-13)14-5-6-14/h1-4,13-14,16H,5-10H2.
What are the key properties of 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 342.22 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 65477786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).