N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine

C16H28N2S — CID 105030313

IUPACN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N2S/c1-4-18-15(9-14-11-17-12-19-14)16(10-13(2)3)7-5-6-8-16/h11-13,15,18H,4-10H2,1-3H3
InChIKeySAICVOGMPFKKOQ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.27
Rot. Bonds7

About N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030313) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030313
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N2S/c1-4-18-15(9-14-11-17-12-19-14)16(10-13(2)3)7-5-6-8-16/h11-13,15,18H,4-10H2,1-3H3
InChIKeySAICVOGMPFKKOQ-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030314
2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036587
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116765952
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115847589
1-(1-methoxycyclobutyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116714429
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine (CID 105030313) is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SAICVOGMPFKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-18-15(9-14-11-17-12-19-14)16(10-13(2)3)7-5-6-8-16/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 280.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).