butylcyclohexane;tert-butyl formate;thiophen-2-amine

C19H35NO2S — CID 174464728

IUPACbutylcyclohexane;tert-butyl formate;thiophen-2-amine
SMILESCC(C)(C)OC=O.CCCCC1CCCCC1.Nc1cccs1
InChIInChI=1S/C10H20.C5H10O2.C4H5NS/c1-2-3-7-10-8-5-4-6-9-10;1-5(2,3)7-4-6;5-4-2-1-3-6-4/h10H,2-9H2,1H3;4H,1-3H3;1-3H,5H2
InChIKeyUMSKBGOEMRJNOU-UHFFFAOYSA-N
MW341.56 g/mol
LogP6.05
Rot. Bonds4

About butylcyclohexane;tert-butyl formate;thiophen-2-amine

butylcyclohexane;tert-butyl formate;thiophen-2-amine (PubChem CID 174464728) has the molecular formula C19H35NO2S and a molecular weight of 341.56 g/mol. Its IUPAC name is butylcyclohexane;tert-butyl formate;thiophen-2-amine.

Molecular Properties

Compound Namebutylcyclohexane;tert-butyl formate;thiophen-2-amine
PubChem CID174464728
Molecular FormulaC19H35NO2S
Molecular Weight341.56 g/mol
Exact Mass341.24
IUPAC Namebutylcyclohexane;tert-butyl formate;thiophen-2-amine
SMILESCC(C)(C)OC=O.CCCCC1CCCCC1.Nc1cccs1
InChIInChI=1S/C10H20.C5H10O2.C4H5NS/c1-2-3-7-10-8-5-4-6-9-10;1-5(2,3)7-4-6;5-4-2-1-3-6-4/h10H,2-9H2,1H3;4H,1-3H3;1-3H,5H2
InChIKeyUMSKBGOEMRJNOU-UHFFFAOYSA-N
XLogP6.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromothiophene;pentylcycloheptane
CID 175320420
tert-butyl formate;hexylcyclopropane
CID 174391270
2-aminothiophene-3-carboxylic acid;butylcyclohexane
CID 22053855
2,3-diethylthiophene;pentylcycloheptane
CID 174909997
2-(4-cyclohexylbutyl)thiophene
CID 142713613
hexylcyclohexane;thiophene
CID 174910643
tert-butyl formate;cyclopentanamine;methanamine
CID 177039317
2-[bromo-(4-butylcyclohexyl)methyl]thiophene
CID 63441929
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of butylcyclohexane;tert-butyl formate;thiophen-2-amine?
The IUPAC name of butylcyclohexane;tert-butyl formate;thiophen-2-amine (CID 174464728) is butylcyclohexane;tert-butyl formate;thiophen-2-amine.
What is the SMILES notation for butylcyclohexane;tert-butyl formate;thiophen-2-amine?
The canonical SMILES for butylcyclohexane;tert-butyl formate;thiophen-2-amine is CC(C)(C)OC=O.CCCCC1CCCCC1.Nc1cccs1.
What is the InChIKey of butylcyclohexane;tert-butyl formate;thiophen-2-amine?
The InChIKey is UMSKBGOEMRJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H10O2.C4H5NS/c1-2-3-7-10-8-5-4-6-9-10;1-5(2,3)7-4-6;5-4-2-1-3-6-4/h10H,2-9H2,1H3;4H,1-3H3;1-3H,5H2.
What are the key properties of butylcyclohexane;tert-butyl formate;thiophen-2-amine?
butylcyclohexane;tert-butyl formate;thiophen-2-amine has a molecular weight of 341.56 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclohexane;tert-butyl formate;thiophen-2-amine is sourced from PubChem (CID 174464728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).