N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine

C12H21NS — CID 134310090

IUPACN,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine
SMILESCNC1C(SC(C)C)=CC=CCC1C
InChIInChI=1S/C12H21NS/c1-9(2)14-11-8-6-5-7-10(3)12(11)13-4/h5-6,8-10,12-13H,7H2,1-4H3
InChIKeyYJPMMDYOBZHYFK-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.20
Rot. Bonds3

About N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine

N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine (PubChem CID 134310090) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine.

Molecular Properties

Compound NameN,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine
PubChem CID134310090
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine
SMILESCNC1C(SC(C)C)=CC=CCC1C
InChIInChI=1S/C12H21NS/c1-9(2)14-11-8-6-5-7-10(3)12(11)13-4/h5-6,8-10,12-13H,7H2,1-4H3
InChIKeyYJPMMDYOBZHYFK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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5-[2-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
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1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
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4a,5,6-trimethyl-3,4,5,6-tetrahydro-2H-cyclohepta[b][1,4]thiazine
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2-[(E)-hept-2-en-3-yl]sulfanyl-2,3,5a,9a-tetrahydro-1H-1-benzazepine
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CID 146184714
(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine
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1-[4-(5-hexylsulfanyl-2-methylpentyl)cyclohepta-1,3,5-trien-1-yl]-N-methylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine?
The IUPAC name of N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine (CID 134310090) is N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine.
What is the SMILES notation for N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine?
The canonical SMILES for N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine is CNC1C(SC(C)C)=CC=CCC1C.
What is the InChIKey of N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine?
The InChIKey is YJPMMDYOBZHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)14-11-8-6-5-7-10(3)12(11)13-4/h5-6,8-10,12-13H,7H2,1-4H3.
What are the key properties of N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine?
N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-2-propan-2-ylsulfanylcyclohepta-2,4-dien-1-amine is sourced from PubChem (CID 134310090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).