N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol

C21H41N5O2 — CID 89407634

IUPACN-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol
SMILESCN(C)CCCNC=O.CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C
InChIInChI=1S/C15H27N3O.C6H14N2O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4;1-8(2)5-3-4-7-6-9/h7-8,19H,9-11H2,1-6H3;6H,3-5H2,1-2H3,(H,7,9)
InChIKeyPDXSSKWEMYOAOG-UHFFFAOYSA-N
MW395.59 g/mol
LogP1.26
Rot. Bonds11

About N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol

N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol (PubChem CID 89407634) has the molecular formula C21H41N5O2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol
PubChem CID89407634
Molecular FormulaC21H41N5O2
Molecular Weight395.59 g/mol
Exact Mass395.33
IUPAC NameN-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol
SMILESCN(C)CCCNC=O.CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C
InChIInChI=1S/C15H27N3O.C6H14N2O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4;1-8(2)5-3-4-7-6-9/h7-8,19H,9-11H2,1-6H3;6H,3-5H2,1-2H3,(H,7,9)
InChIKeyPDXSSKWEMYOAOG-UHFFFAOYSA-N
XLogP1.26
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-tris[(dimethylamino)methyl]phenol;2,4,6-tris[(dimethylamino)methyl]phenol
CID 160526541
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
4-bromo-2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 82981356
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
2-amino-N-[3-(dimethylamino)propyl]-9-[[3-formamidopropyl(methyl)amino]methyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxamide
CID 58445829
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[(dimethylamino)methyl]naphthalen-1-ol
CID 131860165
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol?
The IUPAC name of N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol (CID 89407634) is N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol.
What is the SMILES notation for N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol?
The canonical SMILES for N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol is CN(C)CCCNC=O.CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol?
The InChIKey is PDXSSKWEMYOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.C6H14N2O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4;1-8(2)5-3-4-7-6-9/h7-8,19H,9-11H2,1-6H3;6H,3-5H2,1-2H3,(H,7,9).
What are the key properties of N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol?
N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol has a molecular weight of 395.59 g/mol, XLogP of 1.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol is sourced from PubChem (CID 89407634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).