N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine

C14H20IN — CID 65478565

IUPACN-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C14H20IN/c1-2-3-10-16(14-8-9-14)11-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyWVDGPMMJTOSVHL-UHFFFAOYSA-N
MW329.22 g/mol
LogP4.06
Rot. Bonds6

About N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine

N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine (PubChem CID 65478565) has the molecular formula C14H20IN and a molecular weight of 329.22 g/mol. Its IUPAC name is N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
PubChem CID65478565
Molecular FormulaC14H20IN
Molecular Weight329.22 g/mol
Exact Mass329.06
IUPAC NameN-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C14H20IN/c1-2-3-10-16(14-8-9-14)11-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyWVDGPMMJTOSVHL-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine (CID 65478565) is N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine is CCCCN(Cc1ccc(I)cc1)C1CC1.
What is the InChIKey of N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine?
The InChIKey is WVDGPMMJTOSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-2-3-10-16(14-8-9-14)11-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine?
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine has a molecular weight of 329.22 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 65478565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).