1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine

C14H24ClNS — CID 107360809

IUPAC1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1sccc1Cl)C(C)(C)C
InChIInChI=1S/C14H24ClNS/c1-5-9-16-13(14(2,3)4)7-6-12-11(15)8-10-17-12/h8,10,13,16H,5-7,9H2,1-4H3
InChIKeyPEPDBKUBJBEDDR-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.75
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine

1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine (PubChem CID 107360809) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
PubChem CID107360809
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1sccc1Cl)C(C)(C)C
InChIInChI=1S/C14H24ClNS/c1-5-9-16-13(14(2,3)4)7-6-12-11(15)8-10-17-12/h8,10,13,16H,5-7,9H2,1-4H3
InChIKeyPEPDBKUBJBEDDR-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-3-amine
CID 107360773
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
2-(3-bromo-4-methylpentyl)-3-chlorothiophene
CID 107360882
5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine
CID 80531602
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 55185963
1-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine (CID 107360809) is 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine is CCCNC(CCc1sccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is PEPDBKUBJBEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-5-9-16-13(14(2,3)4)7-6-12-11(15)8-10-17-12/h8,10,13,16H,5-7,9H2,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine?
1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 273.87 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 107360809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).