N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine

C18H32N2 — CID 107444712

IUPACN'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCCc1ccc(C(NCCNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-15-8-10-16(11-9-15)17(14(2)3)19-12-13-20-18(4,5)6/h8-11,14,17,19-20H,7,12-13H2,1-6H3
InChIKeyKCWUSMXODNCRMK-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.92
Rot. Bonds7

About N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine

N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 107444712) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID107444712
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCCc1ccc(C(NCCNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-15-8-10-16(11-9-15)17(14(2)3)19-12-13-20-18(4,5)6/h8-11,14,17,19-20H,7,12-13H2,1-6H3
InChIKeyKCWUSMXODNCRMK-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441233
1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
CID 59048816
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
CID 63522223
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine (CID 107444712) is N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine is CCc1ccc(C(NCCNC(C)(C)C)C(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is KCWUSMXODNCRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-15-8-10-16(11-9-15)17(14(2)3)19-12-13-20-18(4,5)6/h8-11,14,17,19-20H,7,12-13H2,1-6H3.
What are the key properties of N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine?
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 107444712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).