4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C13H24IN3O — CID 88963415

IUPAC4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCC(NI)CC1
InChIInChI=1S/C13H24IN3O/c14-16-12-5-3-11(4-6-12)13(18)15-7-10-17-8-1-2-9-17/h11-12,16H,1-10H2,(H,15,18)
InChIKeyAOFCVSKJHVHYAX-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.70
Rot. Bonds5

About 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 88963415) has the molecular formula C13H24IN3O and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID88963415
Molecular FormulaC13H24IN3O
Molecular Weight365.26 g/mol
Exact Mass365.10
IUPAC Name4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCC(NI)CC1
InChIInChI=1S/C13H24IN3O/c14-16-12-5-3-11(4-6-12)13(18)15-7-10-17-8-1-2-9-17/h11-12,16H,1-10H2,(H,15,18)
InChIKeyAOFCVSKJHVHYAX-UHFFFAOYSA-N
XLogP1.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 88963415) is 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is O=C(NCCN1CCCC1)C1CCC(NI)CC1.
What is the InChIKey of 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is AOFCVSKJHVHYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24IN3O/c14-16-12-5-3-11(4-6-12)13(18)15-7-10-17-8-1-2-9-17/h11-12,16H,1-10H2,(H,15,18).
What are the key properties of 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 88963415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).