4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine

C16H30N2S — CID 105015268

IUPAC4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCNC(Cc1nccs1)CC(C)CC(C)(C)C
InChIInChI=1S/C16H30N2S/c1-6-7-17-14(11-15-18-8-9-19-15)10-13(2)12-16(3,4)5/h8-9,13-14,17H,6-7,10-12H2,1-5H3
InChIKeyIUGZSMKOIJODQP-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.52
Rot. Bonds8

About 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine

4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine (PubChem CID 105015268) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
PubChem CID105015268
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCNC(Cc1nccs1)CC(C)CC(C)(C)C
InChIInChI=1S/C16H30N2S/c1-6-7-17-14(11-15-18-8-9-19-15)10-13(2)12-16(3,4)5/h8-9,13-14,17H,6-7,10-12H2,1-5H3
InChIKeyIUGZSMKOIJODQP-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-(3-chloro-4-pyridinyl)-4,6,6-trimethyl-N-propylheptan-2-amine
CID 104994393
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The IUPAC name of 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine (CID 105015268) is 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine.
What is the SMILES notation for 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The canonical SMILES for 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine is CCCNC(Cc1nccs1)CC(C)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The InChIKey is IUGZSMKOIJODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-7-17-14(11-15-18-8-9-19-15)10-13(2)12-16(3,4)5/h8-9,13-14,17H,6-7,10-12H2,1-5H3.
What are the key properties of 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine is sourced from PubChem (CID 105015268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).