1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol

C19H33N3O — CID 122489015

IUPAC1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol
SMILESCCN(CC)CCCCNCc1cccc(/C=N/CC(C)O)c1
InChIInChI=1S/C19H33N3O/c1-4-22(5-2)12-7-6-11-20-15-18-9-8-10-19(13-18)16-21-14-17(3)23/h8-10,13,16-17,20,23H,4-7,11-12,14-15H2,1-3H3/b21-16+
InChIKeyXSJPCINDPCEPKP-LTGZKZEYSA-N
MW319.49 g/mol
LogP2.70
Rot. Bonds12

About 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol

1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol (PubChem CID 122489015) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol
PubChem CID122489015
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol
SMILESCCN(CC)CCCCNCc1cccc(/C=N/CC(C)O)c1
InChIInChI=1S/C19H33N3O/c1-4-22(5-2)12-7-6-11-20-15-18-9-8-10-19(13-18)16-21-14-17(3)23/h8-10,13,16-17,20,23H,4-7,11-12,14-15H2,1-3H3/b21-16+
InChIKeyXSJPCINDPCEPKP-LTGZKZEYSA-N
XLogP2.70
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
2-benzyl-3-[[2-[[4-(diethylamino)butylamino]methyl]-4-pyridinyl]methylideneamino]propan-1-ol
CID 78427614
N-[(3-bromophenyl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215009
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
N',N'-diethyl-N-[(4-fluoro-3-methylphenyl)methyl]propane-1,3-diamine
CID 55040345
3-(ethylaminomethyl)benzaldehyde
CID 90105279
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570
N-[[4-(aminomethyl)phenyl]methyl]-N',N'-dipropylbutane-1,4-diamine;N',N'-dipropyl-N-[[4-[[[4-(trifluoromethyl)phenyl]methylideneamino]methyl]phenyl]methyl]butane-1,4-diamine;4-(trifluoromethyl)benzaldehyde
CID 161367322

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol?
The IUPAC name of 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol (CID 122489015) is 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol.
What is the SMILES notation for 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol?
The canonical SMILES for 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol is CCN(CC)CCCCNCc1cccc(/C=N/CC(C)O)c1.
What is the InChIKey of 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol?
The InChIKey is XSJPCINDPCEPKP-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-4-22(5-2)12-7-6-11-20-15-18-9-8-10-19(13-18)16-21-14-17(3)23/h8-10,13,16-17,20,23H,4-7,11-12,14-15H2,1-3H3/b21-16+.
What are the key properties of 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol?
1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol has a molecular weight of 319.49 g/mol, XLogP of 2.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(diethylamino)butylamino]methyl]phenyl]methylideneamino]propan-2-ol is sourced from PubChem (CID 122489015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).