3-[tert-butyl(ethyl)amino]propan-1-ol

C9H21NO — CID 138079476

IUPAC3-[tert-butyl(ethyl)amino]propan-1-ol
SMILESCCN(CCCO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10(7-6-8-11)9(2,3)4/h11H,5-8H2,1-4H3
InChIKeyHHPWEQMWYMHGLZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds4

About 3-[tert-butyl(ethyl)amino]propan-1-ol

3-[tert-butyl(ethyl)amino]propan-1-ol (PubChem CID 138079476) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]propan-1-ol
PubChem CID138079476
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-[tert-butyl(ethyl)amino]propan-1-ol
SMILESCCN(CCCO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10(7-6-8-11)9(2,3)4/h11H,5-8H2,1-4H3
InChIKeyHHPWEQMWYMHGLZ-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[tert-butyl(ethyl)amino]propan-1-ol 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

N,N-diethyl-2-methylpropan-2-amine;dimethylsilane
CID 173297747
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2-[butyl(tert-butyl)amino]ethanol;N-tert-butyl-N-ethylbutan-1-amine;N-tert-butyl-N-ethylheptan-1-amine;N-tert-butyl-N-ethylpentan-1-amine;N-tert-butyl-N-methyldecan-1-amine;N-tert-butyl-N-methylheptan-1-amine;2-[tert-butyl(nonyl)amino]ethanol;3-[tert-butyl(nonyl)amino]propan-1-ol;2-[2-[tert-butyl(octyl)amino]ethoxy]ethanol;3-[tert-butyl(octyl)amino]propan-1-ol;N,2-dimethyl-N-propylpropan-2-amine
CID 157499241
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol
CID 170022391
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
2-[3-(dimethylamino)propyl-ethylamino]propan-2-ol
CID 174855893
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]propan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]propan-1-ol (CID 138079476) is 3-[tert-butyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]propan-1-ol is CCN(CCCO)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]propan-1-ol?
The InChIKey is HHPWEQMWYMHGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-10(7-6-8-11)9(2,3)4/h11H,5-8H2,1-4H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]propan-1-ol?
3-[tert-butyl(ethyl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 138079476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).