N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine

C18H32N2 — CID 43079217

IUPACN-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-13-20(7-2)17(14-19)15-9-11-16(12-10-15)18(3,4)5/h9-12,17H,6-8,13-14,19H2,1-5H3
InChIKeyFBSYDWHCPWAMDU-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.11
Rot. Bonds7

About N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine

N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine (PubChem CID 43079217) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
PubChem CID43079217
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-13-20(7-2)17(14-19)15-9-11-16(12-10-15)18(3,4)5/h9-12,17H,6-8,13-14,19H2,1-5H3
InChIKeyFBSYDWHCPWAMDU-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
CID 43327444
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine (CID 43079217) is N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine is CCCCN(CC)C(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is FBSYDWHCPWAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-8-13-20(7-2)17(14-19)15-9-11-16(12-10-15)18(3,4)5/h9-12,17H,6-8,13-14,19H2,1-5H3.
What are the key properties of N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine?
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43079217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).