2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine

C18H32N2 — CID 79008228

IUPAC2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)C(C)CC(C)C
InChIInChI=1S/C18H32N2/c1-6-18(14-19,13-17-10-8-7-9-11-17)20(5)16(4)12-15(2)3/h7-11,15-16H,6,12-14,19H2,1-5H3
InChIKeyHAUOWXSCZCUEOL-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.70
Rot. Bonds8

About 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine

2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine (PubChem CID 79008228) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
PubChem CID79008228
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)C(C)CC(C)C
InChIInChI=1S/C18H32N2/c1-6-18(14-19,13-17-10-8-7-9-11-17)20(5)16(4)12-15(2)3/h7-11,15-16H,6,12-14,19H2,1-5H3
InChIKeyHAUOWXSCZCUEOL-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
CID 79008492
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 79008717
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
CID 114992436
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867392
2-benzyl-2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79008970
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 79008023
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
CID 135203392
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 79008803

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine (CID 79008228) is 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(C)C(C)CC(C)C.
What is the InChIKey of 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine?
The InChIKey is HAUOWXSCZCUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-18(14-19,13-17-10-8-7-9-11-17)20(5)16(4)12-15(2)3/h7-11,15-16H,6,12-14,19H2,1-5H3.
What are the key properties of 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine?
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79008228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).