1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine

C14H24N2 — CID 62038846

IUPAC1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCNC(CC)CN(C)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-14(15-5-2)12-16(3)11-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyZUNFPFFREMZXRK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.51
Rot. Bonds7

About 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine

1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine (PubChem CID 62038846) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
PubChem CID62038846
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCNC(CC)CN(C)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-14(15-5-2)12-16(3)11-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyZUNFPFFREMZXRK-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 113232516
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
1-N-[(4-methoxyphenyl)methyl]-1-N-methyl-2-N-propylbutane-1,2-diamine
CID 62040558
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 92752265
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine (CID 62038846) is 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine is CCNC(CC)CN(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The InChIKey is ZUNFPFFREMZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-14(15-5-2)12-16(3)11-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3.
What are the key properties of 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62038846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).