N-(2-methoxyethyl)-N-nonylnonan-1-amine

C21H45NO — CID 6426107

IUPACN-(2-methoxyethyl)-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)CCOC
InChIInChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-22(20-21-23-3)19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyOBBVBPBOQAFLTM-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.44
Rot. Bonds19

About N-(2-methoxyethyl)-N-nonylnonan-1-amine

N-(2-methoxyethyl)-N-nonylnonan-1-amine (PubChem CID 6426107) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-nonylnonan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-nonylnonan-1-amine
PubChem CID6426107
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC NameN-(2-methoxyethyl)-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)CCOC
InChIInChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-22(20-21-23-3)19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyOBBVBPBOQAFLTM-UHFFFAOYSA-N
XLogP6.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
(9Z,12Z)-N-(2-methoxyethyl)-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 129293510
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-nonylnonan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-nonylnonan-1-amine (CID 6426107) is N-(2-methoxyethyl)-N-nonylnonan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-nonylnonan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-nonylnonan-1-amine is CCCCCCCCCN(CCCCCCCCC)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N-nonylnonan-1-amine?
The InChIKey is OBBVBPBOQAFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-22(20-21-23-3)19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-nonylnonan-1-amine?
N-(2-methoxyethyl)-N-nonylnonan-1-amine has a molecular weight of 327.60 g/mol, XLogP of 6.44, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-nonylnonan-1-amine is sourced from PubChem (CID 6426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).