N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine

C15H24N2 — CID 60896174

IUPACN'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
SMILESCc1ccccc1C1CC(NCCCCN)C1
InChIInChI=1S/C15H24N2/c1-12-6-2-3-7-15(12)13-10-14(11-13)17-9-5-4-8-16/h2-3,6-7,13-14,17H,4-5,8-11,16H2,1H3
InChIKeyJTWMZLQFXWHNAL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine

N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine (PubChem CID 60896174) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
PubChem CID60896174
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
SMILESCc1ccccc1C1CC(NCCCCN)C1
InChIInChI=1S/C15H24N2/c1-12-6-2-3-7-15(12)13-10-14(11-13)17-9-5-4-8-16/h2-3,6-7,13-14,17H,4-5,8-11,16H2,1H3
InChIKeyJTWMZLQFXWHNAL-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.57
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

4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222
3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529593
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine?
The IUPAC name of N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine (CID 60896174) is N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine is Cc1ccccc1C1CC(NCCCCN)C1.
What is the InChIKey of N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine?
The InChIKey is JTWMZLQFXWHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-2-3-7-15(12)13-10-14(11-13)17-9-5-4-8-16/h2-3,6-7,13-14,17H,4-5,8-11,16H2,1H3.
What are the key properties of N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine?
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine is sourced from PubChem (CID 60896174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).