2-amino-N-hex-5-ynylcyclohexane-1-carboxamide

C13H22N2O — CID 106212965

IUPAC2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
SMILESC#CCCCCNC(=O)C1CCCCC1N
InChIInChI=1S/C13H22N2O/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,11-12H,3-10,14H2,(H,15,16)
InChIKeyPDAYMGSLHAEGOB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide

2-amino-N-hex-5-ynylcyclohexane-1-carboxamide (PubChem CID 106212965) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
PubChem CID106212965
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
SMILESC#CCCCCNC(=O)C1CCCCC1N
InChIInChI=1S/C13H22N2O/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,11-12H,3-10,14H2,(H,15,16)
InChIKeyPDAYMGSLHAEGOB-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide 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-(piperidin-4-yl)cyclohexanecarboxamide
CID 1445167
2-amino-N-methylcyclohexane-1-carboxamide
CID 13697510
Rel-(9AR,13AS)-1-isobutyryltetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201226
n-Isopropylcyclohexanecarboxamide
CID 232390
(1S,11R)-2-(3-methylbutanoyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201195
Rel-(9AR,13AS)-1-(cyclopropylcarbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201196
Rel-(9AR,13AS)-1-(cyclobutylcarbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201197
Tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201224
Tetradecahydro-1,7-benzodiazecin-8-one
CID 110201299
Cyclohexanecarboxamide, N-2-propynyl-
CID 25578919
(3S)-3-cyclohexyl-3-(prop-2-ynylamino)propanamide
CID 97879232
2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
CID 22090837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide (CID 106212965) is 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide is C#CCCCCNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide?
The InChIKey is PDAYMGSLHAEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,11-12H,3-10,14H2,(H,15,16).
What are the key properties of 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide?
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hex-5-ynylcyclohexane-1-carboxamide is sourced from PubChem (CID 106212965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).