N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine

C16H28N2 — CID 100998037

IUPACN-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
SMILESCN(CCCN(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)18(5)13-9-12-17(4)14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyUFSYMJXYMZRBCA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds6

About N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine

N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 100998037) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID100998037
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
SMILESCN(CCCN(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)18(5)13-9-12-17(4)14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyUFSYMJXYMZRBCA-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
CID 43510639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine (CID 100998037) is N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine is CN(CCCN(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is UFSYMJXYMZRBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)18(5)13-9-12-17(4)14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3.
What are the key properties of N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine?
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 100998037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).