1-(2-methylpentylamino)ethanol

C8H19NO — CID 88836184

IUPAC1-(2-methylpentylamino)ethanol
SMILESCCCC(C)CNC(C)O
InChIInChI=1S/C8H19NO/c1-4-5-7(2)6-9-8(3)10/h7-10H,4-6H2,1-3H3
InChIKeyOZMRDKBOWXGTNI-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methylpentylamino)ethanol

1-(2-methylpentylamino)ethanol (PubChem CID 88836184) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(2-methylpentylamino)ethanol.

Molecular Properties

Compound Name1-(2-methylpentylamino)ethanol
PubChem CID88836184
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(2-methylpentylamino)ethanol
SMILESCCCC(C)CNC(C)O
InChIInChI=1S/C8H19NO/c1-4-5-7(2)6-9-8(3)10/h7-10H,4-6H2,1-3H3
InChIKeyOZMRDKBOWXGTNI-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
6-methylnonan-2-ol
CID 19931334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentylamino)ethanol?
The IUPAC name of 1-(2-methylpentylamino)ethanol (CID 88836184) is 1-(2-methylpentylamino)ethanol.
What is the SMILES notation for 1-(2-methylpentylamino)ethanol?
The canonical SMILES for 1-(2-methylpentylamino)ethanol is CCCC(C)CNC(C)O.
What is the InChIKey of 1-(2-methylpentylamino)ethanol?
The InChIKey is OZMRDKBOWXGTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-7(2)6-9-8(3)10/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpentylamino)ethanol?
1-(2-methylpentylamino)ethanol has a molecular weight of 145.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentylamino)ethanol is sourced from PubChem (CID 88836184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).