2-ethyl-2-[(nonylamino)methyl]butan-1-ol

C16H35NO — CID 114164917

IUPAC2-ethyl-2-[(nonylamino)methyl]butan-1-ol
SMILESCCCCCCCCCNCC(CC)(CC)CO
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-17-14-16(5-2,6-3)15-18/h17-18H,4-15H2,1-3H3
InChIKeyLMBHBEJWZCSHRO-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.13
Rot. Bonds13

About 2-ethyl-2-[(nonylamino)methyl]butan-1-ol

2-ethyl-2-[(nonylamino)methyl]butan-1-ol (PubChem CID 114164917) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-ethyl-2-[(nonylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(nonylamino)methyl]butan-1-ol
PubChem CID114164917
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-ethyl-2-[(nonylamino)methyl]butan-1-ol
SMILESCCCCCCCCCNCC(CC)(CC)CO
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-17-14-16(5-2,6-3)15-18/h17-18H,4-15H2,1-3H3
InChIKeyLMBHBEJWZCSHRO-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
2-(chloromethyl)-2-ethyl-N-heptylbutan-1-amine
CID 106252175
2,2-diethyl-N'-octylpropane-1,3-diamine
CID 115568699
2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
CID 115517280
2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
CID 82942000
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(nonylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(nonylamino)methyl]butan-1-ol (CID 114164917) is 2-ethyl-2-[(nonylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(nonylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(nonylamino)methyl]butan-1-ol is CCCCCCCCCNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[(nonylamino)methyl]butan-1-ol?
The InChIKey is LMBHBEJWZCSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-17-14-16(5-2,6-3)15-18/h17-18H,4-15H2,1-3H3.
What are the key properties of 2-ethyl-2-[(nonylamino)methyl]butan-1-ol?
2-ethyl-2-[(nonylamino)methyl]butan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(nonylamino)methyl]butan-1-ol is sourced from PubChem (CID 114164917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).