2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol

C13H30N2O — CID 64796168

IUPAC2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
SMILESCCCCCN(C)CCC(C)(CO)NCC
InChIInChI=1S/C13H30N2O/c1-5-7-8-10-15(4)11-9-13(3,12-16)14-6-2/h14,16H,5-12H2,1-4H3
InChIKeyIXEGPIVUAQCLQG-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.86
Rot. Bonds10

About 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol

2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol (PubChem CID 64796168) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
PubChem CID64796168
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
SMILESCCCCCN(C)CCC(C)(CO)NCC
InChIInChI=1S/C13H30N2O/c1-5-7-8-10-15(4)11-9-13(3,12-16)14-6-2/h14,16H,5-12H2,1-4H3
InChIKeyIXEGPIVUAQCLQG-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827009
2-(ethylamino)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-1-ol
CID 64827995
6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 81065078
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
2-(ethylamino)-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64789633
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64827639
4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64787817
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol (CID 64796168) is 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol is CCCCCN(C)CCC(C)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol?
The InChIKey is IXEGPIVUAQCLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-7-8-10-15(4)11-9-13(3,12-16)14-6-2/h14,16H,5-12H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol?
2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol is sourced from PubChem (CID 64796168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).