N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine

C8H14IN — CID 130979410

IUPACN-(2-iodoethyl)-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CCI)C1CC1
InChIInChI=1S/C8H14IN/c1-2-6-10(7-5-9)8-3-4-8/h2,8H,1,3-7H2
InChIKeyYCBZDHNTYXHYJR-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.07
Rot. Bonds5

About N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine

N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine (PubChem CID 130979410) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine.

Molecular Properties

Compound NameN-(2-iodoethyl)-N-prop-2-enylcyclopropanamine
PubChem CID130979410
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC NameN-(2-iodoethyl)-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CCI)C1CC1
InChIInChI=1S/C8H14IN/c1-2-6-10(7-5-9)8-3-4-8/h2,8H,1,3-7H2
InChIKeyYCBZDHNTYXHYJR-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-allyl-N-cyclopropylcyclopropanamine
CID 121207410
N-methyl-N-prop-2-enylcyclopropanamine
CID 53939417
N-[(E)-but-2-enyl]-N-methylcyclopropanamine
CID 89392901
N-but-2-enyl-N-methylcyclopropanamine
CID 123953048
Cyclopropyl-dimethyl-prop-2-enylazanium
CID 138504262
3-iodo-N,N-bis(prop-2-enyl)propan-1-amine
CID 170030005
N,N-Di-2-propen-1-ylcyclopropanamine
CID 67746458
N-ethyl-N-prop-2-enylcyclopropanamine
CID 130733810
N-prop-2-enyl-N-propylcyclopropanamine
CID 131003839

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine?
The IUPAC name of N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine (CID 130979410) is N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine is C=CCN(CCI)C1CC1.
What is the InChIKey of N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine?
The InChIKey is YCBZDHNTYXHYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c1-2-6-10(7-5-9)8-3-4-8/h2,8H,1,3-7H2.
What are the key properties of N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine?
N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine has a molecular weight of 251.11 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-N-prop-2-enylcyclopropanamine is sourced from PubChem (CID 130979410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).