formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine

C23H45NO3 — CID 142267456

IUPACformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
SMILESC=O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO.CO
InChIInChI=1S/C20H35N.2CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;3*1-2/h13-16,21H,3-12,17-18H2,1-2H3;2*2H,1H3;1H2
InChIKeyVZKFFYQUFLZYMP-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.90
Rot. Bonds13

About formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine

formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine (PubChem CID 142267456) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Nameformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
PubChem CID142267456
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Nameformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
SMILESC=O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO.CO
InChIInChI=1S/C20H35N.2CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;3*1-2/h13-16,21H,3-12,17-18H2,1-2H3;2*2H,1H3;1H2
InChIKeyVZKFFYQUFLZYMP-UHFFFAOYSA-N
XLogP4.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;N-[(4-heptylphenyl)methyl]butan-1-amine;methanol
CID 142267281
ethane;formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propane
CID 142267356
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
CID 142267298
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
methanediol;4-[(4-undecylphenyl)methylamino]butanal
CID 142267639
N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329852
acetic acid;N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329851
3-[(4-hexylphenyl)methylamino]propanoyl-trihydroxyphosphanium
CID 123781472
1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
CID 59691756
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
4-[(nonadecylamino)methyl]phenol
CID 70039599
5-[(4-nonylphenyl)methylamino]pentane-2,3-diol
CID 70951462

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine?
The IUPAC name of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine (CID 142267456) is formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine.
What is the SMILES notation for formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine?
The canonical SMILES for formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine is C=O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO.CO.
What is the InChIKey of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine?
The InChIKey is VZKFFYQUFLZYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.2CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;3*1-2/h13-16,21H,3-12,17-18H2,1-2H3;2*2H,1H3;1H2.
What are the key properties of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine?
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine has a molecular weight of 383.62 g/mol, XLogP of 4.90, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 142267456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).