1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine

C15H23N3 — CID 80559606

IUPAC1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(N2CCCC2)ccc1NC1CC(N)C1
InChIInChI=1S/C15H23N3/c1-11-8-14(18-6-2-3-7-18)4-5-15(11)17-13-9-12(16)10-13/h4-5,8,12-13,17H,2-3,6-7,9-10,16H2,1H3
InChIKeySPPOOAVKARZCCL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.50
Rot. Bonds3

About 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine

1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine (PubChem CID 80559606) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
PubChem CID80559606
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(N2CCCC2)ccc1NC1CC(N)C1
InChIInChI=1S/C15H23N3/c1-11-8-14(18-6-2-3-7-18)4-5-15(11)17-13-9-12(16)10-13/h4-5,8,12-13,17H,2-3,6-7,9-10,16H2,1H3
InChIKeySPPOOAVKARZCCL-UHFFFAOYSA-N
XLogP2.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 64734134
N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 43682374
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
5,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thian-3-amine
CID 79953476
1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80560827
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 102670992
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 115916530
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine (CID 80559606) is 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine is Cc1cc(N2CCCC2)ccc1NC1CC(N)C1.
What is the InChIKey of 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The InChIKey is SPPOOAVKARZCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-8-14(18-6-2-3-7-18)4-5-15(11)17-13-9-12(16)10-13/h4-5,8,12-13,17H,2-3,6-7,9-10,16H2,1H3.
What are the key properties of 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).