1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide

C14H24N2OS — CID 106427662

IUPAC1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
SMILESC#CCSCCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N2OS/c1-3-9-18-10-8-16-13(17)14(11-15)6-4-12(2)5-7-14/h1,12H,4-11,15H2,2H3,(H,16,17)
InChIKeyFBUROZLCKISDEC-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.62
Rot. Bonds6

About 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide (PubChem CID 106427662) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
PubChem CID106427662
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
SMILESC#CCSCCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N2OS/c1-3-9-18-10-8-16-13(17)14(11-15)6-4-12(2)5-7-14/h1,12H,4-11,15H2,2H3,(H,16,17)
InChIKeyFBUROZLCKISDEC-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 106428100
2-[1-(aminomethyl)cyclohexyl]-N-(2-methylsulfanylethyl)acetamide
CID 59780098
2-[1-(aminomethyl)cyclohexyl]-N-[2-[(2R)-butan-2-yl]sulfanylethyl]acetamide
CID 71070455
2-[1-(aminomethyl)cyclohexyl]-N-[2-[2-(methylamino)-2-oxoethyl]sulfanylethyl]acetamide
CID 71071932
2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide
CID 78001154
4,4-dimethyl-N-(thian-4-ylmethyl)cyclohexane-1-carboxamide;ethane
CID 144881972
S-[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]ethyl] ethanethioate
CID 171457417
N-(2-tert-butylsulfanylethyl)cyclohexanecarboxamide
CID 17652348
1-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63958055
1-carbamothioyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 63959127
1-carbamothioyl-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63960428
4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 79527428

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide (CID 106427662) is 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide is C#CCSCCNC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide?
The InChIKey is FBUROZLCKISDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-9-18-10-8-16-13(17)14(11-15)6-4-12(2)5-7-14/h1,12H,4-11,15H2,2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106427662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).