1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine

C16H28N2 — CID 115196909

IUPAC1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCCC(C)c1ccc(CCN(C)CC(C)N)cc1
InChIInChI=1S/C16H28N2/c1-5-13(2)16-8-6-15(7-9-16)10-11-18(4)12-14(3)17/h6-9,13-14H,5,10-12,17H2,1-4H3
InChIKeyFGNALZDZLKTLTH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.02
Rot. Bonds7

About 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine

1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine (PubChem CID 115196909) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
PubChem CID115196909
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCCC(C)c1ccc(CCN(C)CC(C)N)cc1
InChIInChI=1S/C16H28N2/c1-5-13(2)16-8-6-15(7-9-16)10-11-18(4)12-14(3)17/h6-9,13-14H,5,10-12,17H2,1-4H3
InChIKeyFGNALZDZLKTLTH-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
[2-(4-butan-2-ylphenyl)ethyl-methylamino]methanethiol
CID 115228380
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258991
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
CID 155582548
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine (CID 115196909) is 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine is CCC(C)c1ccc(CCN(C)CC(C)N)cc1.
What is the InChIKey of 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is FGNALZDZLKTLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(2)16-8-6-15(7-9-16)10-11-18(4)12-14(3)17/h6-9,13-14H,5,10-12,17H2,1-4H3.
What are the key properties of 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).