N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine

C17H30N2 — CID 62417355

IUPACN-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H30N2/c1-7-14(2)19(6)13-16-10-8-9-15(11-16)12-18-17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyLEMKUIKWOVOREU-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds6

About N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine

N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine (PubChem CID 62417355) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
PubChem CID62417355
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H30N2/c1-7-14(2)19(6)13-16-10-8-9-15(11-16)12-18-17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyLEMKUIKWOVOREU-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725996
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62418488
N-benzyl-N-methylbutan-2-amine
CID 15496809
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
CID 62412171
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine (CID 62417355) is N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine?
The InChIKey is LEMKUIKWOVOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-14(2)19(6)13-16-10-8-9-15(11-16)12-18-17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine?
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 62417355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).