1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine

C14H31NS — CID 83162216

IUPAC1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSC(C)(C)C
InChIInChI=1S/C14H31NS/c1-7-15-13(10-8-9-12(2)3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyPGEMLYBOCLMRDW-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds8

About 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine

1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine (PubChem CID 83162216) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine
PubChem CID83162216
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSC(C)(C)C
InChIInChI=1S/C14H31NS/c1-7-15-13(10-8-9-12(2)3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyPGEMLYBOCLMRDW-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-N-ethylpentan-2-amine
CID 64613643
1-tert-butylsulfanyl-N-ethylhept-6-en-2-amine
CID 65133114
1-tert-butylsulfanyl-N-ethyl-4,6-dimethylheptan-2-amine
CID 114200920
1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
CID 65133064
1-tert-butylsulfanyl-N,4-diethylhexan-2-amine
CID 82922711
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
1-tert-butylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79186178
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
1-tert-butylsulfanylheptan-2-ylhydrazine
CID 105226571
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine (CID 83162216) is 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine is CCNC(CCCC(C)C)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine?
The InChIKey is PGEMLYBOCLMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-7-15-13(10-8-9-12(2)3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine?
1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine is sourced from PubChem (CID 83162216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).