4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine

C15H26N2S — CID 65086080

IUPAC4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCNC1(c2nccs2)CCCC(C)(C)CC1
InChIInChI=1S/C15H26N2S/c1-4-10-17-15(13-16-11-12-18-13)7-5-6-14(2,3)8-9-15/h11-12,17H,4-10H2,1-3H3
InChIKeyIVJUZQCUUIGWAN-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.33
Rot. Bonds4

About 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine

4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65086080) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65086080
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCNC1(c2nccs2)CCCC(C)(C)CC1
InChIInChI=1S/C15H26N2S/c1-4-10-17-15(13-16-11-12-18-13)7-5-6-14(2,3)8-9-15/h11-12,17H,4-10H2,1-3H3
InChIKeyIVJUZQCUUIGWAN-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
N-propyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
CID 63333466
2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 79846998
1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 63166254
5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 79949785
N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65090297
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
4-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62542779
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65074915

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65086080) is 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is CCCNC1(c2nccs2)CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is IVJUZQCUUIGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-10-17-15(13-16-11-12-18-13)7-5-6-14(2,3)8-9-15/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65086080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).