N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine

C14H25N3S — CID 63314805

IUPACN'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc(C(C)NCCN(C)C2CCCC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(14-10-18-12(2)16-14)15-8-9-17(3)13-6-4-5-7-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBFCJGNATBNJJGH-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.98
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 63314805) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID63314805
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc(C(C)NCCN(C)C2CCCC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(14-10-18-12(2)16-14)15-8-9-17(3)13-6-4-5-7-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBFCJGNATBNJJGH-UHFFFAOYSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60981235
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115708161
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104653000

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine (CID 63314805) is N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine is Cc1nc(C(C)NCCN(C)C2CCCC2)cs1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is BFCJGNATBNJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(14-10-18-12(2)16-14)15-8-9-17(3)13-6-4-5-7-13/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 63314805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).