N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine

C19H34N2 — CID 115463980

IUPACN,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN(C)CC(C)(C)C
InChIInChI=1S/C19H34N2/c1-16(2)13-20-12-11-17-9-7-8-10-18(17)14-21(6)15-19(3,4)5/h7-10,16,20H,11-15H2,1-6H3
InChIKeyWDKVBLBQVGJRAC-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.95
Rot. Bonds8

About N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 115463980) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID115463980
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN(C)CC(C)(C)C
InChIInChI=1S/C19H34N2/c1-16(2)13-20-12-11-17-9-7-8-10-18(17)14-21(6)15-19(3,4)5/h7-10,16,20H,11-15H2,1-6H3
InChIKeyWDKVBLBQVGJRAC-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine (CID 115463980) is N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine is CC(C)CNCCc1ccccc1CN(C)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is WDKVBLBQVGJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-16(2)13-20-12-11-17-9-7-8-10-18(17)14-21(6)15-19(3,4)5/h7-10,16,20H,11-15H2,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115463980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).