N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline

C17H29N3 — CID 63236805

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-14(18-2)16-5-7-17(8-6-16)20(4)13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyDGNROSYDCAPHHG-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline

N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 63236805) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID63236805
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-14(18-2)16-5-7-17(8-6-16)20(4)13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyDGNROSYDCAPHHG-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
N-methyl-5-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234787
1-[5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-pyridinyl]ethanol
CID 83132165
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652
3-[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 76988500
1-[3-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-N-methylethanamine
CID 62910990
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 43505995
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 63236805) is N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline is CNC(C)c1ccc(N(C)CC2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is DGNROSYDCAPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(18-2)16-5-7-17(8-6-16)20(4)13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,9-13H2,1-4H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline?
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 63236805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).