N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

C16H27N3OS — CID 77091916

IUPACN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCC(C)(CN1CCOCC1)CN(Cc1nccs1)C1CC1
InChIInChI=1S/C16H27N3OS/c1-16(2,12-18-6-8-20-9-7-18)13-19(14-3-4-14)11-15-17-5-10-21-15/h5,10,14H,3-4,6-9,11-13H2,1-2H3
InChIKeySJDLKPMVSNYMKW-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.47
Rot. Bonds7

About N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 77091916) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
PubChem CID77091916
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCC(C)(CN1CCOCC1)CN(Cc1nccs1)C1CC1
InChIInChI=1S/C16H27N3OS/c1-16(2,12-18-6-8-20-9-7-18)13-19(14-3-4-14)11-15-17-5-10-21-15/h5,10,14H,3-4,6-9,11-13H2,1-2H3
InChIKeySJDLKPMVSNYMKW-UHFFFAOYSA-N
XLogP2.47
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 95042861
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
8-Propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746450
N,N-dimethyl-2-[4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747132
6-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 132399123
N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-[3-(2,2,2-trifluoroethoxy)propyl]-6-azaspiro[2.5]octan-2-amine
CID 137842034
(4aS,7aR)-4-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 124803650
2-[(4aS,7aR)-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 124806736
9-Propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131640477
9-(2-Methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131653802
9-(2-Methoxyethyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131655533
8-(2-Methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072858

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (CID 77091916) is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is CC(C)(CN1CCOCC1)CN(Cc1nccs1)C1CC1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is SJDLKPMVSNYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2,12-18-6-8-20-9-7-18)13-19(14-3-4-14)11-15-17-5-10-21-15/h5,10,14H,3-4,6-9,11-13H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 309.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 77091916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).