N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C18H33N3 — CID 63725996

IUPACN'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H33N3/c1-18(2,3)19-14-16-9-7-10-17(13-16)15-21(6)12-8-11-20(4)5/h7,9-10,13,19H,8,11-12,14-15H2,1-6H3
InChIKeyWRILPQYPPDVWMB-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.96
Rot. Bonds8

About N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63725996) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63725996
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H33N3/c1-18(2,3)19-14-16-9-7-10-17(13-16)15-21(6)12-8-11-20(4)5/h7,9-10,13,19H,8,11-12,14-15H2,1-6H3
InChIKeyWRILPQYPPDVWMB-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
N-[[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114524795
N'-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725127
3-[3-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]prop-2-enoic acid
CID 77017482
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63725996) is N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WRILPQYPPDVWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-18(2,3)19-14-16-9-7-10-17(13-16)15-21(6)12-8-11-20(4)5/h7,9-10,13,19H,8,11-12,14-15H2,1-6H3.
What are the key properties of N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63725996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).