4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine

C15H27N3S — CID 79116301

IUPAC4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCc1nc(CN(CC)C2CCC(N)CC2)cs1
InChIInChI=1S/C15H27N3S/c1-3-5-15-17-13(11-19-15)10-18(4-2)14-8-6-12(16)7-9-14/h11-12,14H,3-10,16H2,1-2H3
InChIKeyWQLOCHRUBHCJJR-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.19
Rot. Bonds6

About 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79116301) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79116301
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCc1nc(CN(CC)C2CCC(N)CC2)cs1
InChIInChI=1S/C15H27N3S/c1-3-5-15-17-13(11-19-15)10-18(4-2)14-8-6-12(16)7-9-14/h11-12,14H,3-10,16H2,1-2H3
InChIKeyWQLOCHRUBHCJJR-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 80709452
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66245104
4-N-[(6-chloro-2-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79241003
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55073796
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-N-propylcyclopropanamine
CID 54967198
N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 47053893

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine (CID 79116301) is 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine is CCCc1nc(CN(CC)C2CCC(N)CC2)cs1.
What is the InChIKey of 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is WQLOCHRUBHCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-5-15-17-13(11-19-15)10-18(4-2)14-8-6-12(16)7-9-14/h11-12,14H,3-10,16H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 281.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79116301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).