N-ethyl-N-propan-2-ylthian-3-amine

C10H21NS — CID 127009584

IUPACN-ethyl-N-propan-2-ylthian-3-amine
SMILESCCN(C(C)C)C1CCCSC1
InChIInChI=1S/C10H21NS/c1-4-11(9(2)3)10-6-5-7-12-8-10/h9-10H,4-8H2,1-3H3
InChIKeyGKQSBHGARHORGD-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About N-ethyl-N-propan-2-ylthian-3-amine

N-ethyl-N-propan-2-ylthian-3-amine (PubChem CID 127009584) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylthian-3-amine
PubChem CID127009584
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-N-propan-2-ylthian-3-amine
SMILESCCN(C(C)C)C1CCCSC1
InChIInChI=1S/C10H21NS/c1-4-11(9(2)3)10-6-5-7-12-8-10/h9-10H,4-8H2,1-3H3
InChIKeyGKQSBHGARHORGD-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
2-[ethyl(thiolan-3-yl)amino]propanoic acid
CID 121203692
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522
3-[methyl(thian-3-yl)amino]butanoic acid
CID 110838575
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758
2-N-methyl-1-N-propan-2-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62422594
ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
CID 177204189
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62873306
N-(2-bromoprop-2-enyl)-N-methylthian-3-amine
CID 130684412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylthian-3-amine?
The IUPAC name of N-ethyl-N-propan-2-ylthian-3-amine (CID 127009584) is N-ethyl-N-propan-2-ylthian-3-amine.
What is the SMILES notation for N-ethyl-N-propan-2-ylthian-3-amine?
The canonical SMILES for N-ethyl-N-propan-2-ylthian-3-amine is CCN(C(C)C)C1CCCSC1.
What is the InChIKey of N-ethyl-N-propan-2-ylthian-3-amine?
The InChIKey is GKQSBHGARHORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-11(9(2)3)10-6-5-7-12-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-ylthian-3-amine?
N-ethyl-N-propan-2-ylthian-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 127009584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).