3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol

C10H23NO3 — CID 114358005

IUPAC3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
SMILESCCOCCOC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NO3/c1-4-13-5-6-14-9(7-12)10(11)8(2)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyAFNHSHLWDXRKFB-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.38
Rot. Bonds8

About 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol

3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol (PubChem CID 114358005) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
PubChem CID114358005
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
SMILESCCOCCOC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NO3/c1-4-13-5-6-14-9(7-12)10(11)8(2)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyAFNHSHLWDXRKFB-UHFFFAOYSA-N
XLogP0.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-5,5-dimethyloxolan-3-ol
CID 134891641
3-Amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol
CID 102721906
3-Amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol
CID 102721949
3-Amino-4,4-dimethyl-2-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 113574193
3-Amino-5-methyl-2-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 114357803
3-Amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 114357805
3-Amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 114357806
3-Amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
CID 114358137
3-Amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
CID 114358138
3-Amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 114358325
3-Amino-4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 114358327
3-Amino-4,4-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 114358328

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol (CID 114358005) is 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol is CCOCCOC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol?
The InChIKey is AFNHSHLWDXRKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-13-5-6-14-9(7-12)10(11)8(2)3/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol?
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 114358005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).