2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol

C15H27NOS — CID 83929636

IUPAC2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H27NOS/c1-4-13(8-12(9-16)10-17)15-6-5-14(18-15)7-11(2)3/h5-6,11-13,17H,4,7-10,16H2,1-3H3
InChIKeyZNHONKMXXGUDDQ-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.40
Rot. Bonds8

About 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol

2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol (PubChem CID 83929636) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol
PubChem CID83929636
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H27NOS/c1-4-13(8-12(9-16)10-17)15-6-5-14(18-15)7-11(2)3/h5-6,11-13,17H,4,7-10,16H2,1-3H3
InChIKeyZNHONKMXXGUDDQ-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol (CID 83929636) is 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol is CCC(CC(CN)CO)c1ccc(CC(C)C)s1.
What is the InChIKey of 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol?
The InChIKey is ZNHONKMXXGUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-4-13(8-12(9-16)10-17)15-6-5-14(18-15)7-11(2)3/h5-6,11-13,17H,4,7-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol?
2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol has a molecular weight of 269.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[5-(2-methylpropyl)thiophen-2-yl]hexan-1-ol is sourced from PubChem (CID 83929636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).