N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine

C18H33N3 — CID 63725478

IUPACN,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
SMILESCC(C)CNCc1ccccc1CN(C)CCCN(C)C
InChIInChI=1S/C18H33N3/c1-16(2)13-19-14-17-9-6-7-10-18(17)15-21(5)12-8-11-20(3)4/h6-7,9-10,16,19H,8,11-15H2,1-5H3
InChIKeyQTRDLXYIXVZYKV-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.82
Rot. Bonds10

About N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 63725478) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
PubChem CID63725478
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
SMILESCC(C)CNCc1ccccc1CN(C)CCCN(C)C
InChIInChI=1S/C18H33N3/c1-16(2)13-19-14-17-9-6-7-10-18(17)15-21(5)12-8-11-20(3)4/h6-7,9-10,16,19H,8,11-15H2,1-5H3
InChIKeyQTRDLXYIXVZYKV-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62419867
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine (CID 63725478) is N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine is CC(C)CNCc1ccccc1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is QTRDLXYIXVZYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-16(2)13-19-14-17-9-6-7-10-18(17)15-21(5)12-8-11-20(3)4/h6-7,9-10,16,19H,8,11-15H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 63725478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).