2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine

C16H28N2 — CID 62558509

IUPAC2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-5-9-14(2)17-12-15(3)18(4)13-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,5,9,12-13H2,1-4H3
InChIKeyJKUVKYCXZPYKQA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds8

About 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine

2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 62558509) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
PubChem CID62558509
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-5-9-14(2)17-12-15(3)18(4)13-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,5,9,12-13H2,1-4H3
InChIKeyJKUVKYCXZPYKQA-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2-N-methyl-1-N-pentan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 62569725
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
N-benzyl-N-methylbutan-2-amine
CID 15496809
N-benzyl-N-methylheptan-2-amine
CID 101048002
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-N-methyl-1-N-pentan-2-yl-2-N-pentylpropane-1,2-diamine
CID 62569522
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782695

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine (CID 62558509) is 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)NCC(C)N(C)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is JKUVKYCXZPYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-9-14(2)17-12-15(3)18(4)13-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,5,9,12-13H2,1-4H3.
What are the key properties of 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine?
2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62558509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).