4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine

C15H22N2S — CID 115149711

IUPAC4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc3c(c2)CCCS3)CC1
InChIInChI=1S/C15H22N2S/c16-12-3-5-13(6-4-12)17-14-7-8-15-11(10-14)2-1-9-18-15/h7-8,10,12-13,17H,1-6,9,16H2
InChIKeyDCGTYIGQRVASRU-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.41
Rot. Bonds2

About 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine

4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine (PubChem CID 115149711) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine
PubChem CID115149711
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc3c(c2)CCCS3)CC1
InChIInChI=1S/C15H22N2S/c16-12-3-5-13(6-4-12)17-14-7-8-15-11(10-14)2-1-9-18-15/h7-8,10,12-13,17H,1-6,9,16H2
InChIKeyDCGTYIGQRVASRU-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,4-dihydro-2H-thiochromen-6-yl)propane-1,3-diamine
CID 115197135
N-(2-chloroethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115214647
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115209215
3-N-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,3-diamine
CID 115134491
1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
CID 115121169
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
CID 137448864
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
CID 115117308
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
6-(cyclopropylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83819616

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine (CID 115149711) is 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccc3c(c2)CCCS3)CC1.
What is the InChIKey of 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine?
The InChIKey is DCGTYIGQRVASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c16-12-3-5-13(6-4-12)17-14-7-8-15-11(10-14)2-1-9-18-15/h7-8,10,12-13,17H,1-6,9,16H2.
What are the key properties of 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine?
4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115149711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).