N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine

C15H32N2S — CID 114238299

IUPACN-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
SMILESCSC1CCN(CCCCCNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2S/c1-15(2,3)16-10-6-5-7-11-17-12-8-14(18-4)9-13-17/h14,16H,5-13H2,1-4H3
InChIKeyRRQBZTONWKHMLR-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds7

About N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine (PubChem CID 114238299) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
PubChem CID114238299
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
SMILESCSC1CCN(CCCCCNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2S/c1-15(2,3)16-10-6-5-7-11-17-12-8-14(18-4)9-13-17/h14,16H,5-13H2,1-4H3
InChIKeyRRQBZTONWKHMLR-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine 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-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
CID 60851538
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butylhexan-1-amine
CID 79945206
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
1-(2-bromoethyl)-4-methylsulfanylpiperidine
CID 126974921
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine (CID 114238299) is N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine is CSC1CCN(CCCCCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The InChIKey is RRQBZTONWKHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-15(2,3)16-10-6-5-7-11-17-12-8-14(18-4)9-13-17/h14,16H,5-13H2,1-4H3.
What are the key properties of N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 114238299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).