N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine

C17H35NS — CID 138654358

IUPACN-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine
SMILESCCC(CSCC1CCCC1)N(C)CCC(C)(C)C
InChIInChI=1S/C17H35NS/c1-6-16(18(5)12-11-17(2,3)4)14-19-13-15-9-7-8-10-15/h15-16H,6-14H2,1-5H3
InChIKeyPCGVVTAVHBWVLO-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.06
Rot. Bonds8

About N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine

N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine (PubChem CID 138654358) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine
PubChem CID138654358
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine
SMILESCCC(CSCC1CCCC1)N(C)CCC(C)(C)C
InChIInChI=1S/C17H35NS/c1-6-16(18(5)12-11-17(2,3)4)14-19-13-15-9-7-8-10-15/h15-16H,6-14H2,1-5H3
InChIKeyPCGVVTAVHBWVLO-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine with MolForge

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Related Compounds

2,3,4,5-Tetratert-butyl-1,3-thiazolidine
CID 57666172
2-Ethyl-5,6,6-trimethyl-4,7-di(propan-2-yl)-1,4-thiazepane
CID 134536339
(3R)-N-methyl-3-(3-methylhexan-3-ylsulfanyl)-N-(2-methylpropyl)butan-1-amine
CID 134570467
3,5-Ditert-butyl-4-(3-methylhexan-3-yl)thiomorpholine
CID 137410678
3-(Tert-butylsulfanylmethyl)-4-(2,2-dimethylpropyl)-1,1-dimethylpyrrolidin-1-ium;ethane
CID 145571079
N-(2,2-dimethylpropyl)-N,3,3,4,4,5-hexamethyl-5-propan-2-ylsulfanylhexan-1-amine
CID 156051817
2,3-Ditert-butyl-4,5,6-tri(propan-2-yl)thiomorpholine
CID 178466367
[1-[[2-Methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanethiol
CID 80015719
2-[[Cyclopentyl(2-methylpropyl)amino]methyl]-2-propylpentane-1-thiol
CID 80213315
2-[[Cyclopentyl(3-methylbutyl)amino]methyl]-2-propylpentane-1-thiol
CID 80214052
[1-[[Methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclopentyl]methanethiol
CID 112667540
[1-[[Methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol
CID 112667563

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine (CID 138654358) is N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine is CCC(CSCC1CCCC1)N(C)CCC(C)(C)C.
What is the InChIKey of N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is PCGVVTAVHBWVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-6-16(18(5)12-11-17(2,3)4)14-19-13-15-9-7-8-10-15/h15-16H,6-14H2,1-5H3.
What are the key properties of N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine?
N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine has a molecular weight of 285.54 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethylsulfanyl)butan-2-yl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 138654358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).