formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol

C25H49NO3 — CID 142267298

IUPACformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
SMILESC=O.CC(C)O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO
InChIInChI=1S/C20H35N.C3H8O.CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;1-3(2)4;2*1-2/h13-16,21H,3-12,17-18H2,1-2H3;3-4H,1-2H3;2H,1H3;1H2
InChIKeyPYRUTUHCNHFEKK-UHFFFAOYSA-N
MW411.67 g/mol
LogP5.68
Rot. Bonds13

About formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol

formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol (PubChem CID 142267298) has the molecular formula C25H49NO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol.

Molecular Properties

Compound Nameformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
PubChem CID142267298
Molecular FormulaC25H49NO3
Molecular Weight411.67 g/mol
Exact Mass411.37
IUPAC Nameformaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
SMILESC=O.CC(C)O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO
InChIInChI=1S/C20H35N.C3H8O.CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;1-3(2)4;2*1-2/h13-16,21H,3-12,17-18H2,1-2H3;3-4H,1-2H3;2H,1H3;1H2
InChIKeyPYRUTUHCNHFEKK-UHFFFAOYSA-N
XLogP5.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
CID 142267456
formaldehyde;N-[(4-heptylphenyl)methyl]butan-1-amine;methanol
CID 142267281
ethane;formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propane
CID 142267356
1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
CID 59691756
5-[(4-nonylphenyl)methylamino]pentane-2,3-diol
CID 70951462
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
3-[(4-hexylphenyl)methylamino]propanoyl-trihydroxyphosphanium
CID 123781472
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
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
4-[(nonadecylamino)methyl]phenol
CID 70039599

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol?
The IUPAC name of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol (CID 142267298) is formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol.
What is the SMILES notation for formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol?
The canonical SMILES for formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol is C=O.CC(C)O.CCCCCCCCCc1ccc(CNCCCC)cc1.CO.
What is the InChIKey of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol?
The InChIKey is PYRUTUHCNHFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.C3H8O.CH4O.CH2O/c1-3-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21-17-6-4-2;1-3(2)4;2*1-2/h13-16,21H,3-12,17-18H2,1-2H3;3-4H,1-2H3;2H,1H3;1H2.
What are the key properties of formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol?
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol has a molecular weight of 411.67 g/mol, XLogP of 5.68, 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;propan-2-ol is sourced from PubChem (CID 142267298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).