2-(3-methylpent-1-en-2-ylamino)ethanol

C8H17NO — CID 147266168

IUPAC2-(3-methylpent-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-7(2)8(3)9-5-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyCPNKRHNVPBSEBF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.13
Rot. Bonds5

About 2-(3-methylpent-1-en-2-ylamino)ethanol

2-(3-methylpent-1-en-2-ylamino)ethanol (PubChem CID 147266168) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3-methylpent-1-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylpent-1-en-2-ylamino)ethanol
PubChem CID147266168
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3-methylpent-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-7(2)8(3)9-5-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyCPNKRHNVPBSEBF-UHFFFAOYSA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpent-1-en-2-ylamino)ethanol?
The IUPAC name of 2-(3-methylpent-1-en-2-ylamino)ethanol (CID 147266168) is 2-(3-methylpent-1-en-2-ylamino)ethanol.
What is the SMILES notation for 2-(3-methylpent-1-en-2-ylamino)ethanol?
The canonical SMILES for 2-(3-methylpent-1-en-2-ylamino)ethanol is C=C(NCCO)C(C)CC.
What is the InChIKey of 2-(3-methylpent-1-en-2-ylamino)ethanol?
The InChIKey is CPNKRHNVPBSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(2)8(3)9-5-6-10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylpent-1-en-2-ylamino)ethanol?
2-(3-methylpent-1-en-2-ylamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpent-1-en-2-ylamino)ethanol is sourced from PubChem (CID 147266168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).