3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol

C11H26N2O — CID 104840317

IUPAC3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-10(12)11(8-14)13(6-2)7-9(3)4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyGBWGFMWPQOARSU-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.06
Rot. Bonds7

About 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol

3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol (PubChem CID 104840317) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
PubChem CID104840317
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-10(12)11(8-14)13(6-2)7-9(3)4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyGBWGFMWPQOARSU-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

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 43312489
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
CID 113459497
3-amino-2-[ethyl(2-methoxyethyl)amino]-4-methylpentan-1-ol
CID 114356911
3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
CID 79477732
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898086
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
2-(diethylamino)pentane-1,3,4-triol
CID 121452059
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol?
The IUPAC name of 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol (CID 104840317) is 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol is CCC(N)C(CO)N(CC)CC(C)C.
What is the InChIKey of 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol?
The InChIKey is GBWGFMWPQOARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-10(12)11(8-14)13(6-2)7-9(3)4/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol?
3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-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 3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 104840317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).