N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine

C14H22N2O — CID 60887983

IUPACN'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
SMILESCOc1ccc(C2CC(NCCCN)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-5-3-11(4-6-14)12-9-13(10-12)16-8-2-7-15/h3-6,12-13,16H,2,7-10,15H2,1H3
InChIKeyLUGVYFAXLMVXGD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds6

About N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine

N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine (PubChem CID 60887983) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
PubChem CID60887983
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
SMILESCOc1ccc(C2CC(NCCCN)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-5-3-11(4-6-14)12-9-13(10-12)16-8-2-7-15/h3-6,12-13,16H,2,7-10,15H2,1H3
InChIKeyLUGVYFAXLMVXGD-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
N'-[3-(4-bromophenyl)cyclobutyl]butane-1,4-diamine
CID 60895622
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633750
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine (CID 60887983) is N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine is COc1ccc(C2CC(NCCCN)C2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine?
The InChIKey is LUGVYFAXLMVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-5-3-11(4-6-14)12-9-13(10-12)16-8-2-7-15/h3-6,12-13,16H,2,7-10,15H2,1H3.
What are the key properties of N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine?
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine is sourced from PubChem (CID 60887983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).