N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine

C21H31N3OS — CID 8851200

IUPACN,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
SMILESCc1nc(COc2ccc(CNCC3(N(C)C)CCCCC3)cc2)cs1
InChIInChI=1S/C21H31N3OS/c1-17-23-19(15-26-17)14-25-20-9-7-18(8-10-20)13-22-16-21(24(2)3)11-5-4-6-12-21/h7-10,15,22H,4-6,11-14,16H2,1-3H3
InChIKeySLNUGBKTFFFBGL-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.38
Rot. Bonds8

About N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine

N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine (PubChem CID 8851200) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
PubChem CID8851200
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC NameN,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
SMILESCc1nc(COc2ccc(CNCC3(N(C)C)CCCCC3)cc2)cs1
InChIInChI=1S/C21H31N3OS/c1-17-23-19(15-26-17)14-25-20-9-7-18(8-10-20)13-22-16-21(24(2)3)11-5-4-6-12-21/h7-10,15,22H,4-6,11-14,16H2,1-3H3
InChIKeySLNUGBKTFFFBGL-UHFFFAOYSA-N
XLogP4.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
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CID 38048603
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
CID 86884892
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine (CID 8851200) is N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine is Cc1nc(COc2ccc(CNCC3(N(C)C)CCCCC3)cc2)cs1.
What is the InChIKey of N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine?
The InChIKey is SLNUGBKTFFFBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-17-23-19(15-26-17)14-25-20-9-7-18(8-10-20)13-22-16-21(24(2)3)11-5-4-6-12-21/h7-10,15,22H,4-6,11-14,16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine has a molecular weight of 373.57 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 8851200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).