N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine

C11H17IN2 — CID 142257786

IUPACN-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCN(CCCI)Cc1ccncc1
InChIInChI=1S/C11H17IN2/c1-2-14(9-3-6-12)10-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyDKZRDNODWJKZLV-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine

N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 142257786) has the molecular formula C11H17IN2 and a molecular weight of 304.17 g/mol. Its IUPAC name is N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID142257786
Molecular FormulaC11H17IN2
Molecular Weight304.17 g/mol
Exact Mass304.04
IUPAC NameN-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCN(CCCI)Cc1ccncc1
InChIInChI=1S/C11H17IN2/c1-2-14(9-3-6-12)10-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyDKZRDNODWJKZLV-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
Paraquat dichloride
CID 15938
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Cetylpyridinium Bromide
CID 8816
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
Myosmine
CID 442649
3-Cyanopyridine
CID 79

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine (CID 142257786) is N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine is CCN(CCCI)Cc1ccncc1.
What is the InChIKey of N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is DKZRDNODWJKZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-2-14(9-3-6-12)10-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9-10H2,1H3.
What are the key properties of N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine?
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 304.17 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 142257786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).