N-propylthiophen-2-amine;hydrochloride

C7H12ClNS — CID 22714339

IUPACN-propylthiophen-2-amine;hydrochloride
SMILESCCCNc1cccs1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-2-5-8-7-4-3-6-9-7;/h3-4,6,8H,2,5H2,1H3;1H
InChIKeySFYBOCFUXDDORZ-UHFFFAOYSA-N
MW177.70 g/mol
LogP2.99
Rot. Bonds3

About N-propylthiophen-2-amine;hydrochloride

N-propylthiophen-2-amine;hydrochloride (PubChem CID 22714339) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is N-propylthiophen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-propylthiophen-2-amine;hydrochloride
PubChem CID22714339
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC NameN-propylthiophen-2-amine;hydrochloride
SMILESCCCNc1cccs1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-2-5-8-7-4-3-6-9-7;/h3-4,6,8H,2,5H2,1H3;1H
InChIKeySFYBOCFUXDDORZ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)thiophen-2-amine
CID 68833245
2-methyl-4-(thiophen-2-ylamino)butanoic acid
CID 115220490
2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115251177
N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
CID 65268420
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744
ethane;N-methylthiophen-2-amine
CID 144863562
3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
CID 115254214
N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115252656
2-methyl-N-propylthiophen-3-amine
CID 90965556
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240

Frequently Asked Questions

What is the IUPAC name of N-propylthiophen-2-amine;hydrochloride?
The IUPAC name of N-propylthiophen-2-amine;hydrochloride (CID 22714339) is N-propylthiophen-2-amine;hydrochloride.
What is the SMILES notation for N-propylthiophen-2-amine;hydrochloride?
The canonical SMILES for N-propylthiophen-2-amine;hydrochloride is CCCNc1cccs1.Cl.
What is the InChIKey of N-propylthiophen-2-amine;hydrochloride?
The InChIKey is SFYBOCFUXDDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-2-5-8-7-4-3-6-9-7;/h3-4,6,8H,2,5H2,1H3;1H.
What are the key properties of N-propylthiophen-2-amine;hydrochloride?
N-propylthiophen-2-amine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylthiophen-2-amine;hydrochloride is sourced from PubChem (CID 22714339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).