1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine

C12H23NS — CID 65133064

IUPAC1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
SMILESC#CCCC(CSC(C)(C)C)NCC
InChIInChI=1S/C12H23NS/c1-6-8-9-11(13-7-2)10-14-12(3,4)5/h1,11,13H,7-10H2,2-5H3
InChIKeySYUZNQSFFMFXIH-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds6

About 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine

1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine (PubChem CID 65133064) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
PubChem CID65133064
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
SMILESC#CCCC(CSC(C)(C)C)NCC
InChIInChI=1S/C12H23NS/c1-6-8-9-11(13-7-2)10-14-12(3,4)5/h1,11,13H,7-10H2,2-5H3
InChIKeySYUZNQSFFMFXIH-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylsulfanyl-N-ethylpentan-2-amine
CID 64613643
1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162216
N-ethyl-1-phenylsulfanylhex-5-yn-2-amine
CID 65143383
1-tert-butylsulfanyl-N-ethylhept-6-en-2-amine
CID 65133114
1-tert-butylsulfanyl-N,4-diethylhexan-2-amine
CID 82922711
N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
1-tert-butylsulfanyl-N-ethyl-4,6-dimethylheptan-2-amine
CID 114200920
N-ethylhexadec-1-yn-5-amine
CID 115859541
1-tert-butylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79186178
N-(1-tert-butylsulfanylpropan-2-yl)hex-5-yn-1-amine
CID 115893719
2,2-dimethyl-N-propyloct-7-yn-4-amine
CID 63890246
N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
CID 103987258

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine (CID 65133064) is 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine is C#CCCC(CSC(C)(C)C)NCC.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine?
The InChIKey is SYUZNQSFFMFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-6-8-9-11(13-7-2)10-14-12(3,4)5/h1,11,13H,7-10H2,2-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine?
1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine is sourced from PubChem (CID 65133064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).