N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H26N2S — CID 106351355

IUPACN-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC2CCCCCC2)=N1
InChIInChI=1S/C14H26N2S/c1-11(2)13-9-10-17-14(16-13)15-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyDEAJKHSPOHOKJU-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds2

About N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351355) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351355
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC2CCCCCC2)=N1
InChIInChI=1S/C14H26N2S/c1-11(2)13-9-10-17-14(16-13)15-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyDEAJKHSPOHOKJU-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107858171
N-(1-methylcyclohexyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351650
1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one
CID 106351890
N-tert-butyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351079
N-(dicyclopropylmethyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177191
N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858151
N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352080
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 106352124
1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine
CID 106351563
N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177187
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351748

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351355) is N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(NC2CCCCCC2)=N1.
What is the InChIKey of N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DEAJKHSPOHOKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)13-9-10-17-14(16-13)15-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).