2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol

C11H26N2O — CID 3023050

IUPAC2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol
SMILESCC(CCCCN)C(C)(C)NCCO
InChIInChI=1S/C11H26N2O/c1-10(6-4-5-7-12)11(2,3)13-8-9-14/h10,13-14H,4-9,12H2,1-3H3
InChIKeyNTKDAZLAKAQLNM-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.11
Rot. Bonds8

About 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol

2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol (PubChem CID 3023050) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol
PubChem CID3023050
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol
SMILESCC(CCCCN)C(C)(C)NCCO
InChIInChI=1S/C11H26N2O/c1-10(6-4-5-7-12)11(2,3)13-8-9-14/h10,13-14H,4-9,12H2,1-3H3
InChIKeyNTKDAZLAKAQLNM-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol 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

Ethanol, 2-((1,1-dipropylbutyl)amino)-, hydrochloride
CID 3049084
2-[(2-Ethylhexyl)amino]ethanol
CID 276971
Ethanol, 2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-
CID 10703227
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
2-(4-Propylheptan-4-ylamino)ethanol
CID 3049085
2-[(2,6-Dimethylheptan-4-yl)amino]ethan-1-ol
CID 277620
2-((3-Aminopropyl)butylamino)ethanol
CID 56137
1-((6-Aminotrimethylhexyl)amino)propan-2-ol
CID 3023051
2-[[3-[[(1-Hydroxy-2-methylpropan-2-yl)amino]methyl]cyclohexyl]methylamino]-2-methylpropan-1-ol
CID 261851
1-(2,8-Dimethylnonan-5-ylamino)propan-2-ol
CID 277025
2-(2-Methyltridecan-2-ylamino)ethanol
CID 3026561
2-(2,2,6,6-Tetramethylpiperidin-1-ium-1-yl)ethanol
CID 6990518

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol?
The IUPAC name of 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol (CID 3023050) is 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol?
The canonical SMILES for 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol is CC(CCCCN)C(C)(C)NCCO.
What is the InChIKey of 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol?
The InChIKey is NTKDAZLAKAQLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(6-4-5-7-12)11(2,3)13-8-9-14/h10,13-14H,4-9,12H2,1-3H3.
What are the key properties of 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol?
2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol has a molecular weight of 202.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-2,3-dimethylheptan-2-yl)amino]ethanol is sourced from PubChem (CID 3023050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).