3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine

C16H26N2O — CID 107397232

IUPAC3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-8-19-16-10-14(17)9-15(11-16)18(4-2)12-13-6-5-7-13/h9-11,13H,3-8,12,17H2,1-2H3
InChIKeyXAHMFDQNLPZEQU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds7

About 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine

3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine (PubChem CID 107397232) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
PubChem CID107397232
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-8-19-16-10-14(17)9-15(11-16)18(4-2)12-13-6-5-7-13/h9-11,13H,3-8,12,17H2,1-2H3
InChIKeyXAHMFDQNLPZEQU-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 80724019
3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
CID 107397082
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine (CID 107397232) is 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(N(CC)CC2CCC2)c1.
What is the InChIKey of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The InChIKey is XAHMFDQNLPZEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-8-19-16-10-14(17)9-15(11-16)18(4-2)12-13-6-5-7-13/h9-11,13H,3-8,12,17H2,1-2H3.
What are the key properties of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine?
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 107397232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).