[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine

C12H25NS — CID 43529827

IUPAC[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
SMILESCC(C)CSC1CCCCCC1CN
InChIInChI=1S/C12H25NS/c1-10(2)9-14-12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyQNNOTRZWPYZAOE-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.28
Rot. Bonds4

About [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine

[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine (PubChem CID 43529827) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
PubChem CID43529827
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
SMILESCC(C)CSC1CCCCCC1CN
InChIInChI=1S/C12H25NS/c1-10(2)9-14-12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyQNNOTRZWPYZAOE-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-tert-butyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
CID 43529830
N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
CID 64611731
1-[2-(aminomethyl)cycloheptyl]propan-2-amine
CID 156725506
(2-methylcyclodecyl)methanamine
CID 163635360
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 43293262
[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
CID 64697595
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82932340
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 55002106
1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
CID 66221451

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine (CID 43529827) is [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine is CC(C)CSC1CCCCCC1CN.
What is the InChIKey of [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine?
The InChIKey is QNNOTRZWPYZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(2)9-14-12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine?
[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine has a molecular weight of 215.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylsulfanyl)cycloheptyl]methanamine is sourced from PubChem (CID 43529827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).