N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

C14H28N2S — CID 79549363

IUPACN-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCSCCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2S/c1-17-11-5-10-16-13-7-3-2-6-12(13)14-8-4-9-15-14/h12-16H,2-11H2,1H3
InChIKeyUBEKDYZRMLRWLC-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.64
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79549363) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79549363
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCSCCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2S/c1-17-11-5-10-16-13-7-3-2-6-12(13)14-8-4-9-15-14/h12-16H,2-11H2,1H3
InChIKeyUBEKDYZRMLRWLC-UHFFFAOYSA-N
XLogP2.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.64
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

5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309489
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427092
N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
CID 79537332
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546596
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730
N-[3-(2-methoxyethoxy)propyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541663
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79549363) is N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is CSCCCNC1CCCCC1C1CCCN1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is UBEKDYZRMLRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-17-11-5-10-16-13-7-3-2-6-12(13)14-8-4-9-15-14/h12-16H,2-11H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 256.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79549363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).