1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

C19H32N2 — CID 116506268

IUPAC1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-19(4,21(6-2)7-3)18(20)17-13-11-16(12-14-17)15-9-8-10-15/h11-15,18H,5-10,20H2,1-4H3
InChIKeyUFHMTGXQVMFYPM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds7

About 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (PubChem CID 116506268) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
PubChem CID116506268
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-19(4,21(6-2)7-3)18(20)17-13-11-16(12-14-17)15-9-8-10-15/h11-15,18H,5-10,20H2,1-4H3
InChIKeyUFHMTGXQVMFYPM-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069053
1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 116505815
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069292
1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757700
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068981

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (CID 116506268) is 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The InChIKey is UFHMTGXQVMFYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(4,21(6-2)7-3)18(20)17-13-11-16(12-14-17)15-9-8-10-15/h11-15,18H,5-10,20H2,1-4H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 116506268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).