1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine

C13H28N2S — CID 104926411

IUPAC1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
SMILESCSCCCCCNC1CCCN(C)CC1
InChIInChI=1S/C13H28N2S/c1-15-10-6-7-13(8-11-15)14-9-4-3-5-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyMUKBLJOYRRIPCJ-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds7

About 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine

1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine (PubChem CID 104926411) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
PubChem CID104926411
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
SMILESCSCCCCCNC1CCCN(C)CC1
InChIInChI=1S/C13H28N2S/c1-15-10-6-7-13(8-11-15)14-9-4-3-5-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyMUKBLJOYRRIPCJ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine (CID 104926411) is 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine is CSCCCCCNC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine?
The InChIKey is MUKBLJOYRRIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-15-10-6-7-13(8-11-15)14-9-4-3-5-12-16-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine?
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine is sourced from PubChem (CID 104926411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).