(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide

C16H29NO — CID 21316151

IUPAC(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
SMILESCCCCC([NH3+])C(CC)(CC)c1ccccc1.[OH-]
InChIInChI=1S/C16H27N.H2O/c1-4-7-13-15(17)16(5-2,6-3)14-11-9-8-10-12-14;/h8-12,15H,4-7,13,17H2,1-3H3;1H2
InChIKeyCFMLXTSZGKMMKT-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.37
Rot. Bonds7

About (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide

(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide (PubChem CID 21316151) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide.

Molecular Properties

Compound Name(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
PubChem CID21316151
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
SMILESCCCCC([NH3+])C(CC)(CC)c1ccccc1.[OH-]
InChIInChI=1S/C16H27N.H2O/c1-4-7-13-15(17)16(5-2,6-3)14-11-9-8-10-12-14;/h8-12,15H,4-7,13,17H2,1-3H3;1H2
InChIKeyCFMLXTSZGKMMKT-UHFFFAOYSA-N
XLogP3.37
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-phenyltricosan-4-amine
CID 21316172
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
tributyl(trityl)phosphanium fluoride
CID 18356165
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1,1,1-triphenylhexan-2-amine
CID 164823082
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
tert-butylbenzene;hexane
CID 175254424
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
CID 66432776

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide?
The IUPAC name of (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide (CID 21316151) is (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide.
What is the SMILES notation for (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide?
The canonical SMILES for (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide is CCCCC([NH3+])C(CC)(CC)c1ccccc1.[OH-].
What is the InChIKey of (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide?
The InChIKey is CFMLXTSZGKMMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.H2O/c1-4-7-13-15(17)16(5-2,6-3)14-11-9-8-10-12-14;/h8-12,15H,4-7,13,17H2,1-3H3;1H2.
What are the key properties of (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide?
(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide has a molecular weight of 251.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-phenyloctan-4-yl)azanium hydroxide is sourced from PubChem (CID 21316151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).