N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine

C16H28N2 — CID 115206022

IUPACN-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H28N2/c1-5-17-10-11-18-9-8-16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13,17-18H,5,8-11H2,1-4H3
InChIKeyQZPILUKVWYDEHW-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.86
Rot. Bonds8

About N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115206022) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115206022
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H28N2/c1-5-17-10-11-18-9-8-16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13,17-18H,5,8-11H2,1-4H3
InChIKeyQZPILUKVWYDEHW-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.86
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'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]butane-1,4-diamine
CID 115201433
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
CID 115204032
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
(E)-4-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]but-2-enoic acid
CID 115237295
N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine (CID 115206022) is N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine is CCNCCNCCc1cc(C(C)C)ccc1C.
What is the InChIKey of N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is QZPILUKVWYDEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-17-10-11-18-9-8-16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13,17-18H,5,8-11H2,1-4H3.
What are the key properties of N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).