N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride

C9H16ClNS — CID 17332318

IUPACN-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCCNCc1ccsc1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-2-3-5-10-7-9-4-6-11-8-9;/h4,6,8,10H,2-3,5,7H2,1H3;1H
InChIKeyKJENFLQMPQWVRK-UHFFFAOYSA-N
MW205.75 g/mol
LogP3.06
Rot. Bonds5

About N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride

N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride (PubChem CID 17332318) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
PubChem CID17332318
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC NameN-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCCNCc1ccsc1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-2-3-5-10-7-9-4-6-11-8-9;/h4,6,8,10H,2-3,5,7H2,1H3;1H
InChIKeyKJENFLQMPQWVRK-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115615759
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
N-[[3,5-bis(butylaminomethyl)phenyl]methyl]butan-1-amine
CID 10592779

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride?
The IUPAC name of N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride (CID 17332318) is N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride is CCCCNCc1ccsc1.Cl.
What is the InChIKey of N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride?
The InChIKey is KJENFLQMPQWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.ClH/c1-2-3-5-10-7-9-4-6-11-8-9;/h4,6,8,10H,2-3,5,7H2,1H3;1H.
What are the key properties of N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride?
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride has a molecular weight of 205.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 17332318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).