2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol

C17H30N2O — CID 81410876

IUPAC2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3
InChIKeyKRVRSESGVQWJFF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds10

About 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol

2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol (PubChem CID 81410876) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
PubChem CID81410876
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3
InChIKeyKRVRSESGVQWJFF-UHFFFAOYSA-N
XLogP2.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
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-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
CID 60710937
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol (CID 81410876) is 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCCCN(C)c1ccccc1.
What is the InChIKey of 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol?
The InChIKey is KRVRSESGVQWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3.
What are the key properties of 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol?
2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol is sourced from PubChem (CID 81410876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).