N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide

C13H26N2OS — CID 119609946

IUPACN-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NC1CCCCC1CN
InChIInChI=1S/C13H26N2OS/c1-17-9-5-4-8-13(16)15-12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyRTJCWAYLJVXXSG-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide

N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide (PubChem CID 119609946) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
PubChem CID119609946
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NC1CCCCC1CN
InChIInChI=1S/C13H26N2OS/c1-17-9-5-4-8-13(16)15-12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyRTJCWAYLJVXXSG-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide (CID 119609946) is N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide is CSCCCCC(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide?
The InChIKey is RTJCWAYLJVXXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-17-9-5-4-8-13(16)15-12-7-3-2-6-11(12)10-14/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide?
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide is sourced from PubChem (CID 119609946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).