4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine

C15H26N2S — CID 65090996

IUPAC4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
SMILESCC(NC1CCCC(C(C)C)CC1)c1nccs1
InChIInChI=1S/C15H26N2S/c1-11(2)13-5-4-6-14(8-7-13)17-12(3)15-16-9-10-18-15/h9-14,17H,4-8H2,1-3H3
InChIKeySAYQPYMILKRVEP-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.40
Rot. Bonds4

About 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine

4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine (PubChem CID 65090996) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
PubChem CID65090996
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
SMILESCC(NC1CCCC(C(C)C)CC1)c1nccs1
InChIInChI=1S/C15H26N2S/c1-11(2)13-5-4-6-14(8-7-13)17-12(3)15-16-9-10-18-15/h9-14,17H,4-8H2,1-3H3
InChIKeySAYQPYMILKRVEP-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
CID 107133305
N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64993624

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine (CID 65090996) is 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine is CC(NC1CCCC(C(C)C)CC1)c1nccs1.
What is the InChIKey of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine?
The InChIKey is SAYQPYMILKRVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)13-5-4-6-14(8-7-13)17-12(3)15-16-9-10-18-15/h9-14,17H,4-8H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine?
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65090996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).