N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine

C16H28N2 — CID 62423998

IUPACN'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)17-12-8-9-13-18(4)14-15-10-6-5-7-11-15/h5-7,10-11,17H,8-9,12-14H2,1-4H3
InChIKeyYTMCGTTXELHBNR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds7

About N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine

N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine (PubChem CID 62423998) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
PubChem CID62423998
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)17-12-8-9-13-18(4)14-15-10-6-5-7-11-15/h5-7,10-11,17H,8-9,12-14H2,1-4H3
InChIKeyYTMCGTTXELHBNR-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.29
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

N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine (CID 62423998) is N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine is CN(CCCCNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine?
The InChIKey is YTMCGTTXELHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)17-12-8-9-13-18(4)14-15-10-6-5-7-11-15/h5-7,10-11,17H,8-9,12-14H2,1-4H3.
What are the key properties of N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine?
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62423998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).