2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine

C17H28N2 — CID 105348109

IUPAC2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESC=CCN(C)Cc1ccc(CCNCC(C)C)cc1
InChIInChI=1S/C17H28N2/c1-5-12-19(4)14-17-8-6-16(7-9-17)10-11-18-13-15(2)3/h5-9,15,18H,1,10-14H2,2-4H3
InChIKeyZSJQNOREHLHDQA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.09
Rot. Bonds9

About 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105348109) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine
PubChem CID105348109
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESC=CCN(C)Cc1ccc(CCNCC(C)C)cc1
InChIInChI=1S/C17H28N2/c1-5-12-19(4)14-17-8-6-16(7-9-17)10-11-18-13-15(2)3/h5-9,15,18H,1,10-14H2,2-4H3
InChIKeyZSJQNOREHLHDQA-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine (CID 105348109) is 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine is C=CCN(C)Cc1ccc(CCNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is ZSJQNOREHLHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-12-19(4)14-17-8-6-16(7-9-17)10-11-18-13-15(2)3/h5-9,15,18H,1,10-14H2,2-4H3.
What are the key properties of 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105348109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).