3-(ethylamino)-4,4-dimethylpentan-1-ol

C9H21NO — CID 64815315

IUPAC3-(ethylamino)-4,4-dimethylpentan-1-ol
SMILESCCNC(CCO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-8(6-7-11)9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyFHLJHCGRXWLOKG-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 3-(ethylamino)-4,4-dimethylpentan-1-ol

3-(ethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 64815315) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-(ethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4,4-dimethylpentan-1-ol
PubChem CID64815315
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-(ethylamino)-4,4-dimethylpentan-1-ol
SMILESCCNC(CCO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-8(6-7-11)9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyFHLJHCGRXWLOKG-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(ethylamino)-4,4-dimethylpentan-1-ol (CID 64815315) is 3-(ethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(ethylamino)-4,4-dimethylpentan-1-ol is CCNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(ethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is FHLJHCGRXWLOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-10-8(6-7-11)9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 3-(ethylamino)-4,4-dimethylpentan-1-ol?
3-(ethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 64815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).