2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine

C16H28N2 — CID 62424737

IUPAC2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-6-15(12-17-16(2,3)4)18(5)13-14-10-8-7-9-11-14/h7-11,15,17H,6,12-13H2,1-5H3
InChIKeyUCTIMJGWQWPAFQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds6

About 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine

2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine (PubChem CID 62424737) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
PubChem CID62424737
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-6-15(12-17-16(2,3)4)18(5)13-14-10-8-7-9-11-14/h7-11,15,17H,6,12-13H2,1-5H3
InChIKeyUCTIMJGWQWPAFQ-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
N-benzyl-N-methylbutan-2-amine
CID 15496809
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 103225728
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
2-[benzyl(methyl)amino]butyl carbamate
CID 174859900

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine (CID 62424737) is 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine is CCC(CNC(C)(C)C)N(C)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine?
The InChIKey is UCTIMJGWQWPAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-15(12-17-16(2,3)4)18(5)13-14-10-8-7-9-11-14/h7-11,15,17H,6,12-13H2,1-5H3.
What are the key properties of 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine?
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62424737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).