N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline

C16H27N3O — CID 2979254

IUPACN,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
SMILESCN(C)c1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-18(2)16-6-4-15(5-7-16)14-17-8-3-9-19-10-12-20-13-11-19/h4-7,17H,3,8-14H2,1-2H3
InChIKeyCDGSFTLYWCBCHB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.56
Rot. Bonds7

About N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline

N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline (PubChem CID 2979254) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
PubChem CID2979254
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
SMILESCN(C)c1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-18(2)16-6-4-15(5-7-16)14-17-8-3-9-19-10-12-20-13-11-19/h4-7,17H,3,8-14H2,1-2H3
InChIKeyCDGSFTLYWCBCHB-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline (CID 2979254) is N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline is CN(C)c1ccc(CNCCCN2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The InChIKey is CDGSFTLYWCBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(2)16-6-4-15(5-7-16)14-17-8-3-9-19-10-12-20-13-11-19/h4-7,17H,3,8-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline has a molecular weight of 277.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline is sourced from PubChem (CID 2979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).