1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol

C11H26N2O — CID 64820540

IUPAC1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCCN(CCC(C)(O)CN)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(8-10(2)3)7-6-11(4,14)9-12/h10,14H,5-9,12H2,1-4H3
InChIKeyOSSMMBNTHFDRPU-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.06
Rot. Bonds7

About 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol

1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol (PubChem CID 64820540) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
PubChem CID64820540
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCCN(CCC(C)(O)CN)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(8-10(2)3)7-6-11(4,14)9-12/h10,14H,5-9,12H2,1-4H3
InChIKeyOSSMMBNTHFDRPU-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 64818666
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
1-amino-2-methyl-6-[2-methylpropyl(propan-2-yl)amino]hexan-2-ol
CID 64819799
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
1-amino-6-[ethyl(propan-2-yl)amino]-2-methylhexan-2-ol
CID 64820439
1-amino-5-[cyclopropyl(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64818670
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
CID 61289336

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol (CID 64820540) is 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol is CCN(CCC(C)(O)CN)CC(C)C.
What is the InChIKey of 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol?
The InChIKey is OSSMMBNTHFDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(8-10(2)3)7-6-11(4,14)9-12/h10,14H,5-9,12H2,1-4H3.
What are the key properties of 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol?
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 64820540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).