N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine

C10H21NS — CID 79179495

IUPACN-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine
SMILESC=C(C)C(CSC(C)C)NCC
InChIInChI=1S/C10H21NS/c1-6-11-10(8(2)3)7-12-9(4)5/h9-11H,2,6-7H2,1,3-5H3
InChIKeyLHRHSWYWZSQEFU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine

N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine (PubChem CID 79179495) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine
PubChem CID79179495
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine
SMILESC=C(C)C(CSC(C)C)NCC
InChIInChI=1S/C10H21NS/c1-6-11-10(8(2)3)7-12-9(4)5/h9-11H,2,6-7H2,1,3-5H3
InChIKeyLHRHSWYWZSQEFU-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88534300
(3S)-N-(fluoromethyl)-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 90047894
2,2-Dimethyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948587
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
CID 66612967
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine (CID 79179495) is N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine is C=C(C)C(CSC(C)C)NCC.
What is the InChIKey of N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine?
The InChIKey is LHRHSWYWZSQEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-6-11-10(8(2)3)7-12-9(4)5/h9-11H,2,6-7H2,1,3-5H3.
What are the key properties of N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine?
N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-propan-2-ylsulfanylbut-3-en-2-amine is sourced from PubChem (CID 79179495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).