2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol

C13H23NOS — CID 65187875

IUPAC2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
SMILESCCc1ccc(C(O)C(CN)CC(C)C)s1
InChIInChI=1S/C13H23NOS/c1-4-11-5-6-12(16-11)13(15)10(8-14)7-9(2)3/h5-6,9-10,13,15H,4,7-8,14H2,1-3H3
InChIKeyJKMCOJDNASJVDN-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.96
Rot. Bonds6

About 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol

2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol (PubChem CID 65187875) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
PubChem CID65187875
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
SMILESCCc1ccc(C(O)C(CN)CC(C)C)s1
InChIInChI=1S/C13H23NOS/c1-4-11-5-6-12(16-11)13(15)10(8-14)7-9(2)3/h5-6,9-10,13,15H,4,7-8,14H2,1-3H3
InChIKeyJKMCOJDNASJVDN-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
CID 62942751
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(5-ethylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869418
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469
1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483443
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)-6-methylheptan-2-one
CID 116577024

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol (CID 65187875) is 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol is CCc1ccc(C(O)C(CN)CC(C)C)s1.
What is the InChIKey of 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol?
The InChIKey is JKMCOJDNASJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-11-5-6-12(16-11)13(15)10(8-14)7-9(2)3/h5-6,9-10,13,15H,4,7-8,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol?
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 65187875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).