N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine

C15H27N3 — CID 171539214

IUPACN-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine
SMILESCCCN(C)CCc1ccc(CCNNC)cc1
InChIInChI=1S/C15H27N3/c1-4-12-18(3)13-10-15-7-5-14(6-8-15)9-11-17-16-2/h5-8,16-17H,4,9-13H2,1-3H3
InChIKeyHJPALAHUPBXDGA-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.84
Rot. Bonds9

About N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine

N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine (PubChem CID 171539214) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine
PubChem CID171539214
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine
SMILESCCCN(C)CCc1ccc(CCNNC)cc1
InChIInChI=1S/C15H27N3/c1-4-12-18(3)13-10-15-7-5-14(6-8-15)9-11-17-16-2/h5-8,16-17H,4,9-13H2,1-3H3
InChIKeyHJPALAHUPBXDGA-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpropan-1-amine
CID 143221337
2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine (CID 171539214) is N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine is CCCN(C)CCc1ccc(CCNNC)cc1.
What is the InChIKey of N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine?
The InChIKey is HJPALAHUPBXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-12-18(3)13-10-15-7-5-14(6-8-15)9-11-17-16-2/h5-8,16-17H,4,9-13H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine?
N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 171539214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).